4H-1-Benzopyran-2-carboxylic acid, 7-methyl-4-oxo-, ethyl ester
Basic information
- CAS
33543-95-2- Standard SMILES
CCOC(=O)c1cc(=O)c2ccc(C)cc2o1- InChIKey
DTYYWXDWSQOSNT-UHFFFAOYSA-N- Molecular formula
- C13H12O4
- Average molar mass
- 232.23 g/mol
- Monoisotopic mass
- 232.07355886
Names & identifiers
- Preferred name
- 4H-1-Benzopyran-2-carboxylic acid, 7-methyl-4-oxo-, ethyl ester
- IUPAC
- ethyl 7-methyl-4-oxochromene-2-carboxylate
Names & synonyms
33543-95-2ethyl 7-methyl-4-oxo-4h-chromene-2-carboxylateEthyl 7-methyl-4-oxo-4H-1-benzopyran-2-carboxylate4H-1-Benzopyran-2-carboxylic acid, 7-methyl-4-oxo-, ethyl esterBRN 1377672ETHYL 7-METHYL-4-OXO-CHROMENE-2-CARBOXYLATESCHEMBL8117451DTXSID40187208DTYYWXDWSQOSNT-UHFFFAOYSA-NDB-4304552-carboethoxy-7-methyl-4-oxo-4H-1-benzopyran
Database identifiers
- CAS
33543-95-2- PubChem CID
- 214620
- DTXSID
DTXSID40187208- Nikkaji
- J3.542.791K
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 358
Related reactions
2 records
Compound notes
Loading…