3-Ethoxychromen-2-one
| PubChem CID | 182475 |
| Molecular Formula | C11H10O3 |
| Structure |
|
| Synonyms |
3-ethoxychromen-2-one
ETHOXYCOUMARIN 65216-93-5 3-Ethoxy-1-benzopyran-2-one SCHEMBL210314 DTXSID70215523 |
Computed Descriptors
| IUPAC Name | 3-ethoxychromen-2-one |
| SMILES | CCOC1=CC2=CC=CC=C2OC1=O |
| Canonical SMILES | CCOC1=CC2=CC=CC=C2OC1=O |
| InChI | InChI=1S/C11H10O3/c1-2-13-10-7-8-5-3-4-6-9(8)14-11(10)12/h3-7H,2H2,1H3 |
| InChIKey | PPGXDBJURPEKDZ-UHFFFAOYSA-N |
Computed Properties
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| Molecular Weight | 190.19 g/mol |
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 190.063 |
| Monoisotopic Mass | 190.063 |
| Topological Polar Surface Area | 35.5 |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 257 |
| 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 |
2 pairs of Verified P450 and 3-Ethoxychromen-2-one
| Insect | Gene Symbol | Validation | Reference |
|---|---|---|---|
| Laodelphax striatellus | CYP353D1V2 | X | |
| Laodelphax striatellus | CYP439A1V3 | X |