Basic information
- Standard SMILES
CCC1Oc2ccc(C(C)C(=O)OC)cc2C(=O)C1C- InChIKey
YSLRZBQJIPRPEG-UHFFFAOYSA-N- Molecular formula
- C16H20O4
- Average molar mass
- 276.33 g/mol
Names & identifiers
- Preferred name
- Methyl 2-[2,3-dihydro-2-ethyl-3-methyl-4-oxo-4H-1-benzopyran-6-yl]propionate
- IUPAC
- methyl 2-(2-ethyl-3-methyl-4-oxo-2,3-dihydrochromen-6-yl)propanoate
Names & synonyms
SCHEMBL11555235YSLRZBQJIPRPEG-UHFFFAOYSA-NMethyl 2-[2,3-dihydro-2-ethyl-3-methyl-4-oxo-4H-1-benzopyran-6-yl]propionate
Database identifiers
- PubChem CID
- 21322013
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 379
Related reactions
2 records
Compound notes
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