Basic information
- CAS
6468-75-3- Standard SMILES
CCOC(=O)c1ccc2oc(=O)c(C(C)=O)cc2c1- InChIKey
NVDXCXJKXHRCEJ-UHFFFAOYSA-N- Molecular formula
- C14H12O5
- Average molar mass
- 260.24 g/mol
- Monoisotopic mass
- 260.06847348
Names & identifiers
- Preferred name
- 2H-1-Benzopyran-6-carboxylic acid, 3-acetyl-2-oxo-, ethyl ester
- IUPAC
- ethyl 3-acetyl-2-oxochromene-6-carboxylate
- English name
- 3-Acetyl-2-oxo-α-chromene-6-carboxylic acid ethyl ester
- Molecular formula
- C14H12O5
- Molecular weight
- 260.24
Names & synonyms
6468-75-32H-1-BENZOPYRAN-6-CARBOXYLIC ACID, 3-ACETYL-2-OXO-, ETHYL ESTER3-Acetyl-6-carbethoxycoumarinBRN 1386325SC-360ethyl 3-acetyl-2-oxo-2H-chromene-6-carboxylate3-Acetyl-2-oxo-2H-1-benzopyran-6-carboxylic acid ethyl esterSCHEMBL29846449DTXSID30214976Ethyl 3-acetyl-2-oxo-2H-1-benzopyran-6-carboxylate3-Acetyl-2-oxo-α-chromene-6-carboxylic acid ethyl ester
Database identifiers
- CAS
6468-75-3- PubChem CID
- 22971
- DTXSID
DTXSID30214976- Nikkaji
- J41.270H
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 437
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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