2H-1-Benzopyran-3-carboxylic acid, 5,7-dimethoxy-2-oxo-, ethyl ester
Basic information
- CAS
82235-61-8- Standard SMILES
CCOC(=O)c1cc2c(OC)cc(OC)cc2oc1=O- InChIKey
ASYOKKGAMBQUSB-UHFFFAOYSA-N- Molecular formula
- C14H14O6
- Average molar mass
- 278.26 g/mol
- Monoisotopic mass
- 278.07903816
Names & identifiers
- Preferred name
- 2H-1-Benzopyran-3-carboxylic acid, 5,7-dimethoxy-2-oxo-, ethyl ester
- IUPAC
- ethyl 5,7-dimethoxy-2-oxochromene-3-carboxylate
Names & synonyms
82235-61-8NSC1111192H-1-Benzopyran-3-carboxylic acid, 5,7-dimethoxy-2-oxo-, ethyl esterNCIMech_000367CHEMBL1979979DTXSID00296709CCG-35506NSC-111119NCI60_000254DS-004108Ethyl 5,7-dimethoxy-2-oxo-2H-1-benzopyran-3-carboxylate2H-1-Benzopyran-3-carboxylic acid,7-dimethoxy-2-oxo-, ethyl ester
Database identifiers
- CAS
82235-61-8- PubChem CID
- 269666
- DTXSID
DTXSID00296709- ChEMBL
CHEMBL1979979- Nikkaji
- J1.713.501E
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 416
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Compound notes
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