(Z)-6-(2-Methoxyvinyl)-7-methyl-2H-1-benzopyran-2-one
PubChem CID: 5319497
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| Compound Synonyms | (Z)-6-(2-Methoxyvinyl)-7-methyl-2H-1-benzopyran-2-one, 6-[(Z)-2-methoxyethenyl]-7-methylchromen-2-one, CHEBI:174093, DTXSID301201933, 195259-91-7, 6-[(Z)-2-methoxyethenyl]-7-methyl-2H-chromen-2-one, 6-[(1Z)-2-Methoxyethenyl]-7-methyl-2H-1-benzopyran-2-one |
|---|---|
| Topological Polar Surface Area | 35.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 319.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-[(Z)-2-methoxyethenyl]-7-methylchromen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C13H12O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GENWIQAWAHKDHA-WAYWQWQTSA-N |
| Fcsp3 | 0.1538461538461538 |
| Logs | -4.189 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.906 |
| Compound Name | (Z)-6-(2-Methoxyvinyl)-7-methyl-2H-1-benzopyran-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 216.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 216.079 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 216.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.1285631999999994 |
| Inchi | InChI=1S/C13H12O3/c1-9-7-12-11(3-4-13(14)16-12)8-10(9)5-6-15-2/h3-8H,1-2H3/b6-5- |
| Smiles | CC1=CC2=C(C=CC(=O)O2)C=C1/C=C\OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dalbergia Odorifera (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Ficus Carica (Plant) Rel Props:Source_db:cmaup_ingredients