Basic information
- CAS
792909-04-7- Standard SMILES
CCOC(=O)[C@@H](O)[C@H]1CCCCC1=O- InChIKey
WVDWFVDYWPBRMC-CBAPKCEASA-N- Molecular formula
- C10H16O4
- Average molar mass
- 200.23 g/mol
Names & identifiers
- Preferred name
- ethyl (2S)-2-hydroxy-2-[(1R)-2-oxocyclohexyl]acetate
- IUPAC
- ethyl (2S)-2-hydroxy-2-[(1R)-2-oxocyclohexyl]acetate
- English name
- Cyclohexaneacetic acid, -alpha--hydroxy-2-oxo-, ethyl ester, (-alpha-S,1R)- (9CI)
- Molecular formula
- C10H16O4
- Molecular weight
- 200.23164
Names & synonyms
Cyclohexaneacetic acid, α-hydroxy-2-oxo-, ethyl ester, (αS,1R)-Cyclohexaneacetic acid, -alpha--hydroxy-2-oxo-, ethyl ester, (-alpha-S,1R)- (9CI)
Database identifiers
- CAS
792909-04-7- Nikkaji
- J2.476.422B
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 224
Physicochemical properties
- Boiling point
- 322.3 · 322.3±12.0 °C(Predicted)
- Density
- 1.16 · 1.160±0.06 g/cm3(Predicted)
- pka
- 12.35 · 12.35±0.20(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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