PubChem CID | 323 |
Molecular Formula | C9H6O2 |
Structure |
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Synonyms |
coumarin
91-64-5 2H-Chromen-2-one 2H-1-Benzopyran-2-one cumarin 1,2-Benzopyrone chromen-2-one Rattex Coumarinic anhydride Tonka bean camphor Coumarine cis-o-Coumarinic acid lactone Coumarinic lactone o-Hydroxycinnamic acid lactone Benzo-alpha-pyrone o-Hydroxycinnamic lactone 2-Oxo-1,2-benzopyran Kumarin Benzo-a-pyrone 2H-Benzo(b)pyran-2-one 5,6-Benzo-2-pyrone 2H-1-Benzopyran, 2-oxo- Kumarin [Czech] o-Hydroxyzimtsaure-lacton 5,6-Benzo-alpha-pyrone 2H-Benzo[b]pyran-2-one Coumarinum 1-Benzopyran-2-one NCI C07103 103802-83-1 Caswell No. 259C o-Coumaric acid lactone NSC 8774 CCRIS 181 cis-o-Coumaric acid anhydride chromenone EPA Pesticide Chemical Code 127301 DTXSID7020348 CHEBI:28794 BRN 0383644 HSDB 1623 2-oxo-2H-1-benzopyran o-Hydroxyzimtsaure-lacton [German] AI3-00753 UNII-A4VZ22K1WT NSC-8774 EINECS 202-086-7 A4VZ22K1WT Nci-c07103 2-Propenoic acid, 3-(2-hydroxyphenyl)-, delta-lactone 3-(2-Hydroxyphenyl)-2-propenoic delta-lactone Benzo-.alpha.-pyrone Cinnamic acid, o-hydroxy-, delta-lactone Coumarin (prohibited) NSC8774 o-hydroxycinnamic acid delta-lactone MFCD00006850 CHEMBL6466 2-Propenoic acid, 3-(2-hydroxyphenyl)-delta-lactone DTXCID50348 MLS000028741 EC 202-086-7 5-17-10-00143 (Beilstein Handbook Reference) NCGC00091502-01 Coumarin, >=98% SMR000059040 COUMARIN (IARC) COUMARIN [IARC] COUMARIN (MART.) COUMARIN [MART.] 2h-chromene-2-one 2-Propenoic acid, 3-(2-hydroxyphenyl)-, d-lactone 2-Propenoic acid, 3-(2-hydroxyphenyl)-, .delta.-lactone benzopyranone coumarinac lactone CAS-91-64-5 Coumarin [NF] COU 2H-Benzopyran-2-one SR-01000721887 chromen-one a coumarin coumarin- d-lactone Venalot mono Coumarin Phenolic Rattex Rodenticide benzopyrylium olate Coumarin (DCF) Coumarin1513 1, 2-Benzopyrone a 1,2-benzopyrone Venalot mono (TN) Spectrum_001336 ST023509 COUMARIN [HSDB] Opera_ID_268 2H-Chromen-2-one # 3-(2-hydroxyphenyl)- COUMARIN [MI] 2H-1-benzopyran-2-on Spectrum2_000303 Spectrum3_001772 Spectrum4_001818 Spectrum5_000555 COUMARINUM [HPUS] bmse000077 COUMARIN [WHO-DD] Epitope ID:114082 SCHEMBL6252 WLN: T66 BOVJ BSPBio_003263 KBioGR_002460 KBioSS_001816 MLS001148422 MLS002454395 {2H-Benzo[b]pyran-2-one} BIDD:ER0667 SPECTRUM1400208 SPBio_000266 Cinnamic acid, .delta.-lactone Coumarin, >=99% (HPLC) BDBM12342 KBio2_001816 KBio2_004384 KBio2_006952 KBio3_002764 GLXC-19130 HMS1923M11 HMS2091E19 HMS2232H18 HMS3369L08 HMS3652B05 HMS3885D09 Pharmakon1600-01400208 AMY37188 HY-N0709 Tox21_111141 Tox21_202427 Tox21_300057 CCG-38580 NSC755852 s4170 STK066167 COUMARIN (PROHIBITED) [FHFI] AKOS000120175 Tox21_111141_1 2H-chromen-2-one (ACD/Name 4.0) CR-0048 CS-8148 DB04665 NSC-755852 SDCCGMLS-0066912.P001 USEPA/OPP Pesticide Code: 127301 NCGC00091502-02 NCGC00091502-03 NCGC00091502-04 NCGC00091502-05 NCGC00091502-06 NCGC00091502-07 NCGC00091502-08 NCGC00091502-09 NCGC00091502-11 NCGC00091502-12 NCGC00091502-16 NCGC00254092-01 NCGC00259976-01 Coumarin 1000 microg/mL in Acetonitrile NCI60_041938 SBI-0061760.P002 DB-057267 DB-261057 Cinnamic acid, o-hydroxy-, .delta.-lactone Coumarin, Vetec(TM) reagent grade, >=99% NS00002381 SW220278-1 EN300-18115 BIM-0061760.0001 C05851 D07751 D81844 AB00375898_11 AB00375898_12 Coumarin, primary pharmaceutical reference standard Q111812 CU-01000013121-2 Q-100890 SR-01000721887-2 SR-01000721887-3 BRD-K23913458-001-02-5 BRD-K23913458-001-13-2 BRD-K23913458-001-19-9 BRD-K23913458-001-20-7 Coumarin, certified reference material, TraceCERT(R) Z57169486 Coumarin, European Pharmacopoeia (EP) Reference Standard F3096-1712 COUMARIN (CONSTITUENT OF CINNAMOMUM CASSIA BARK) [DSC] COUMARIN (CONSTITUENT OF CINNAMOMUM VERUM BARK) [DSC] D3E956C4-9541-4F57-9435-7D915C38E19E InChI=1/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6 2h-1-benzopyran-2-one;coumarin;2h-chromen-2-one;coumarin ;coumarin (2h-1-benzopyran-2-one) (chromen-2-one);2h-1-benzopyran-2-one coumarin 2h-chromen-2-one coumarin coumarin (2h-1-benzopyran-2-one) (chromen-2-one) |
IUPAC Name | chromen-2-one |
SMILES | C1=CC=C2C(=C1)C=CC(=O)O2 |
Canonical SMILES | C1=CC=C2C(=C1)C=CC(=O)O2 |
InChI | InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H |
InChIKey | ZYGHJZDHTFUPRJ-UHFFFAOYSA-N |
Molecular Weight | 146.14 g/mol |
XLogP3 | 1.4 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 0 |
Exact Mass | 146.037 |
Monoisotopic Mass | 146.037 |
Topological Polar Surface Area | 26.3 |
Heavy Atom Count | 11 |
Formal Charge | 0 |
Complexity | 196 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Insect | Gene Symbol | Validation | Reference |
---|---|---|---|
Anopheles funestus | CYP6P9A | X | |
Anopheles funestus | CYP6P9B | X | |
Spodoptera litura | CYP6AB14 | R | |
Spodoptera litura | CYP6AB60 | R |