cis-propan-2-yl (1S,2S)-2-cyano-2-hydroxycyclopentane-1-carboxylate
Basic information
- CAS
834885-93-7- Standard SMILES
CC(C)OC(=O)[C@H]1CCC[C@@]1(O)C#N- InChIKey
JYFXGINUTXMEOP-PSASIEDQSA-N- Molecular formula
- C10H15NO3
- Average molar mass
- 197.23 g/mol
Names & identifiers
- Preferred name
- cis-propan-2-yl (1S,2S)-2-cyano-2-hydroxycyclopentane-1-carboxylate
- IUPAC
- cis-propan-2-yl (1S,2S)-2-cyano-2-hydroxycyclopentane-1-carboxylate
- English name
- Cyclopentanecarboxylic acid, 2-cyano-2-hydroxy-, 1-methylethyl ester, (1R,2R)-rel- (9CI)
- Molecular formula
- C10H15NO3
- Molecular weight
- 197.23
Names & synonyms
Cyclopentanecarboxylic acid, 2-cyano-2-hydroxy-, 1-methylethyl ester, (1R,2R)-rel- (9CI)
Database identifiers
- CAS
834885-93-7- Nikkaji
- J2.128.939F
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 70.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 278
Physicochemical properties
- Boiling point
- 326.292 · 326.292±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.149 · 1.149±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.807 · 10.807±0.40(predicted)
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Compound notes
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