Basic information
- CAS
6468-67-3- Standard SMILES
CCOC(=O)c1ccc2oc(=O)c(C(=O)OCC)cc2c1- InChIKey
GRJOBAYMDRKDBK-UHFFFAOYSA-N- Molecular formula
- C15H14O6
- Average molar mass
- 290.27 g/mol
- Monoisotopic mass
- 290.07903816
Names & identifiers
- Preferred name
- 2H-1-Benzopyran-3,6-dicarboxylic acid, 2-oxo-, diethyl ester
- IUPAC
- diethyl 2-oxochromene-3,6-dicarboxylate
- English name
- 2-Oxo-α-chromene-3,6-dicarboxylic acid diethyl ester
- Molecular formula
- C15H14O6
- Molecular weight
- 290.27
Names & synonyms
6468-67-32H-1-BENZOPYRAN-3,6-DICARBOXYLIC ACID, 2-OXO-, DIETHYL ESTER3,5-DicarbethoxycoumarinBRN 1294615SC-3572-Oxo-2H-1-benzopyran-3,6-dicarboxylic acid diethyl esterSCHEMBL41758584DTXSID70214970Diethyl 2-oxo-2H-1-benzopyran-3,6-dicarboxylate2-Oxo-α-chromene-3,6-dicarboxylic acid diethyl ester2-oxo-2H-chromene-3,6-dicarboxylic acid diethyl ester2H-1-Benzopyran-3,6-dicarboxylic acid, 2-oxo-, 3,6-diethyl ester
Database identifiers
- CAS
6468-67-3- PubChem CID
- 22965
- DTXSID
DTXSID70214970- Nikkaji
- J41.250C
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 467
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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