Basic information
- CAS
6468-66-2- Standard SMILES
COC(=O)c1ccc2oc(=O)c(C(=O)OC)cc2c1- InChIKey
MMXNNRGWPHCUFE-UHFFFAOYSA-N- Molecular formula
- C13H10O6
- Average molar mass
- 262.21 g/mol
- Monoisotopic mass
- 262.04773803
Names & identifiers
- Preferred name
- 2H-1-Benzopyran-3,6-dicarboxylic acid, 2-oxo-, dimethyl ester
- IUPAC
- dimethyl 2-oxochromene-3,6-dicarboxylate
- English name
- 2-Oxo-α-chromene-3,6-dicarboxylic acid dimethyl ester
- Molecular formula
- C13H10O6
- Molecular weight
- 262.21
Names & synonyms
2H-1-BENZOPYRAN-3,6-DICARBOXYLIC ACID, 2-OXO-, DIMETHYL ESTER6468-66-23,6-DicarbomethoxycoumarinBRN 1390953SC-3532-Oxo-2H-1-benzopyran-3,6-dicarboxylic acid dimethyl esterSCHEMBL29985431DTXSID60214969Dimethyl 2-oxo-2H-1-benzopyran-3,6-dicarboxylate2-Oxo-α-chromene-3,6-dicarboxylic acid dimethyl ester2H-1-Benzopyran-3,6-dicarboxylic acid, 2-oxo-, 3,6-dimethyl ester
Database identifiers
- CAS
6468-66-2- PubChem CID
- 22964
- DTXSID
DTXSID60214969- Nikkaji
- J41.249J
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 438
Physicochemical properties
- Melting point
- 250 · 250-251 °C
- Boiling point
- 442.3 · 442.3±45.0 °C(Predicted)
- Density
- 1.375 · 1.375±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…