Basic information
- CAS
6468-99-1- Standard SMILES
CCOC(=O)c1ccc2oc(=O)c(C(=O)OC)cc2c1- InChIKey
GJIFIQZUTJIYNL-UHFFFAOYSA-N- Molecular formula
- C14H12O6
- Average molar mass
- 276.24 g/mol
- Monoisotopic mass
- 276.0633881
Names & identifiers
- Preferred name
- 6-Ethyl 3-methyl 2-oxo-2H-1-benzopyran-3,6-dicarboxylate
- IUPAC
- 6-O-ethyl 3-O-methyl 2-oxochromene-3,6-dicarboxylate
- English name
- 2-Oxo-α-chromene-3,6-dicarboxylic acid 6-ethyl 3-methyl ester
- Molecular formula
- C14H12O6
- Molecular weight
- 276.24
Names & synonyms
6468-99-12H-1-BENZOPYRAN-3,6-DICARBOXYLIC ACID, 2-OXO-, 6-ETHYL 3-METHYL ESTERDTXSID202149806-Ethyl 3-methyl 2-oxo-2H-1-benzopyran-3,6-dicarboxylateRefChem:1073914DTXCID501374713-Carbomethoxy-6-carbethoxycoumarinBRN 1391759SC-3562-Oxo-2H-1-benzopyran-3,6-dicarboxylic acid 6-ethyl-3-methyl esterSCHEMBL417585822-Oxo-α-chromene-3,6-dicarboxylic acid 6-ethyl 3-methyl ester
Database identifiers
- CAS
6468-99-1- PubChem CID
- 22975
- DTXSID
DTXSID20214980- Nikkaji
- J41.254F
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
Physicochemical properties
- Melting point
- 176 · 176-177 °C
- Boiling point
- 450.3 · 450.3±45.0 °C(Predicted)
- Density
- 1.333 · 1.333±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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