Ethyl 2-oxo-1-indanecarboxylate
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Basic information
- CAS
14397-64-9- Standard SMILES
CCOC(=O)C1C(=O)Cc2ccccc21- InChIKey
JPHAXHCYCMPVSY-UHFFFAOYSA-N- Molecular formula
- C12H12O3
- Average molar mass
- 204.22 g/mol
- Monoisotopic mass
- 204.07864424
Names & identifiers
- Preferred name
- Ethyl 2-oxo-1-indanecarboxylate
- IUPAC
- ethyl 2-oxo-1,3-dihydroindene-1-carboxylate
- English name
- Ethyl 2-oxo-1-indanecarboxylate
- Molecular formula
- C12H12O3
- Molecular weight
- 204.22
Names & synonyms
Ethyl 2-oxo-1-indanecarboxylateethyl 2-oxo-1,3-dihydroindene-1-carboxylate14397-64-91-Ethoxycarbonyl-2-indanone1Ethoxycarbonyl-2-IndanoneSCHEMBL1998760JPHAXHCYCMPVSY-UHFFFAOYSA-N2-Oxo-1-indanecarboxylic acid ethyl esterethyl 2-oxo-2,3-dihydro-1H-indene-1-carboxylateEthyl 2,3-dihydro-2-oxo-1H-indene-1-carboxylate1H-Indene-1-carboxylic acid, 2,3-dihydro-2-oxo-, ethyl ester
Database identifiers
- CAS
14397-64-9- PubChem CID
- 568965
- Nikkaji
- J101.631H
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 272
Physicochemical properties
- Melting point
- 65 °C · 65 °C
- Boiling point
- 324.9 · 324.9±42.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 10.22 · 10.22±0.20(Predicted)
Related reactions
9 records
Compound notes
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