Basic information
- CAS
23405-31-4- Standard SMILES
CCOC(=O)c1ccc2c(c1)COC2=O- InChIKey
RAQLQVDNIKWBRL-UHFFFAOYSA-N- Molecular formula
- C11H10O4
- Average molar mass
- 206.19 g/mol
- Monoisotopic mass
- 206.0579088
Names & identifiers
- Preferred name
- Ethyl 1,3-dihydro-1-oxoisobenzofuran-5-carboxylate
- IUPAC
- ethyl 1-oxo-3H-2-benzofuran-5-carboxylate
- English name
- ethyl 1,3-dihydro-1-oxoisobenzofuran-5-carboxylate
- Molecular formula
- C11H10O4
- Molecular weight
- 206.19
Names & synonyms
23405-31-4Ethyl 1,3-dihydro-1-oxoisobenzofuran-5-carboxylateEthyl 1-oxo-1,3-dihydroisobenzofuran-5-carboxylate5-ethoxycarbonylphthalideethyl 1-oxo-1,3-dihydro-2-benzofuran-5-carboxylateEINECS 245-635-65-Ethoxycarbonylphtalide5-EthoxycarbonylphthalidN8G9NH6C28SCHEMBL3039890DTXSID10177959DB-317633
Show more names
1,3-Dihydro-1-oxo-5-isobenzofurancarboxylic acid ethyl ester
NS00027412Ethyl 1,3-dihydro-1-oxo-5-isobenzofurancarboxylate5-Isobenzofurancarboxylic acid, 1,3-dihydro-1-oxo-, ethyl ester
Database identifiers
- CAS
23405-31-4- PubChem CID
- 90088
- DTXSID
DTXSID10177959- UNII
- N8G9NH6C28
- EC Number
- 245-635-6
- Nikkaji
- J228.951B
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 274
Physicochemical properties
- Melting point
- 148 · 148-150 °C(Solv: ethanol (64-17-5))
- Boiling point
- 403.7 · 403.7±45.0 °C(Predicted)
- Density
- 1.284 · 1.284±0.06 g/cm3(Predicted)
Related reactions
7 records
Compound notes
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