Ethyl 8-methyl-4-oxo-4h-chromene-2-carboxylate
Basic information
- CAS
33543-99-6- Standard SMILES
CCOC(=O)c1cc(=O)c2cccc(C)c2o1- InChIKey
HTBQNHVXXPOWAT-UHFFFAOYSA-N- Molecular formula
- C13H12O4
- Average molar mass
- 232.23 g/mol
- Monoisotopic mass
- 232.07355886
Names & identifiers
- Preferred name
- Ethyl 8-methyl-4-oxo-4h-chromene-2-carboxylate
- IUPAC
- ethyl 8-methyl-4-oxochromene-2-carboxylate
Names & synonyms
ethyl 8-methyl-4-oxo-4h-chromene-2-carboxylate4H-1-Benzopyran-2-carboxylic acid, 8-methyl-4-oxo-, ethyl esterEthyl 8-methyl-4-oxo-4H-1-benzopyran-2-carboxylate33543-99-6BRN 1430093SCHEMBL8106509DTXSID70187211
Database identifiers
- CAS
33543-99-6- PubChem CID
- 214624
- DTXSID
DTXSID70187211- Nikkaji
- J3.542.789I
Properties
Computed structural properties
- XLogP
- 2.3
- 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
0 records
No reaction records under the current filter.
Compound notes
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