Basic information
- CAS
6469-00-7- Standard SMILES
CCOC(=O)c1cc2cc(C(=O)OC)ccc2oc1=O- InChIKey
MKPQNROCYRZWNM-UHFFFAOYSA-N- Molecular formula
- C14H12O6
- Average molar mass
- 276.24 g/mol
- Monoisotopic mass
- 276.0633881
Names & identifiers
- Preferred name
- 3-Carbethoxy-6-carbomethoxycoumarin
- IUPAC
- 3-O-ethyl 6-O-methyl 2-oxochromene-3,6-dicarboxylate
- English name
- 2-Oxo-α-chromene-3,6-dicarboxylic acid 3-ethyl 6-methyl ester
- Molecular formula
- C14H12O6
- Molecular weight
- 276.24
Names & synonyms
6469-00-72H-1-BENZOPYRAN-3,6-DICARBOXYLIC ACID, 2-OXO-, 3-ETHYL 6-METHYL ESTER3-Carbethoxy-6-carbomethoxycoumarinBRN 1393517SC-3542-Oxo-2H-1-benzopyran-3,6-dicarboxylic acid 3-ethyl 6-methyl esterSCHEMBL31491378DTXSID002149883-Ethyl 6-methyl 2-oxo-2H-1-benzopyran-3,6-dicarboxylate2-Oxo-α-chromene-3,6-dicarboxylic acid 3-ethyl 6-methyl ester
Database identifiers
- CAS
6469-00-7- PubChem CID
- 22976
- DTXSID
DTXSID00214988- Nikkaji
- J41.255D
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 453
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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