Basic information
- CAS
33544-03-5- Standard SMILES
CCOC(=O)c1cc(=O)c2c(C)cc(C)cc2o1- InChIKey
INPGFWWEYHBRGS-UHFFFAOYSA-N- Molecular formula
- C14H14O4
- Average molar mass
- 246.26 g/mol
- Monoisotopic mass
- 246.08920892
Names & identifiers
- Preferred name
- 4H-1-Benzopyran-2-carboxylic acid, 5,7-dimethyl-4-oxo-, ethyl ester
- IUPAC
- ethyl 5,7-dimethyl-4-oxochromene-2-carboxylate
Names & synonyms
4H-1-Benzopyran-2-carboxylic acid, 5,7-dimethyl-4-oxo-, ethyl esterEthyl 5,7-dimethyl-4-oxo-4H-1-benzopyran-2-carboxylate33544-03-5BRN 1381143DTXSID10187215
Database identifiers
- CAS
33544-03-5- PubChem CID
- 214628
- DTXSID
DTXSID10187215
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
- 18
- Formal charge
- 0
- Complexity
- 385
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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