Ethyl (3R)-4-cyano-3-hydroxybutanoate
Properties
- Molecular formula
- C7H11NO3
- Molar mass
- 157.17 g/mol
- Exact mass
- 157.0739 Da
- logP
- 0.21Crippen estimate
- Polar surface area
- 70.3 Ų
- H-bond donors / acceptors
- 1 / 4
- Rotatable bonds
- 4
- Stereocentres
- Rin SMILES atom order
Hazards
Warning
- H319 Causes serious eye irritationSerious eye damage/eye irritation
Harmonised EU classification (CLP Annex VI, index 607-609-00-6), via PubChem.
Precautionary statements
P264+P265, P280, P305+P351+P338, P337+P317
Identifiers
CAS number
141942-85-0SMILES
CCOC(=O)C[C@H](O)CC#NInChIKey
LOQFROBMBSKWQY-ZCFIWIBFSA-NInChI
InChI=1S/C7H11NO3/c1-2-11-7(10)5-6(9)3-4-8/h6,9H,2-3,5H2,1H3/t6-/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- Ethyl (R)-4-cyano-3-hydroxybutyrate
- Butanoic acid, 4-cyano-3-hydroxy-, ethyl ester, (3R)-
- Butanoic acid, 4-cyano-3-hydroxy-, ethyl ester, (R)-
- Ethyl (R)-4-cyano-3-hydroxybutanoate
- (3R)-4-Cyano-3-hydroxybutyric acid ethyl ester
- (R)-4-Cyano-3-hydroxybutyric acid ethyl ester
- (R)-Ethyl 4-cyano-3-hydroxybutanoate
- (R)-Ethyl-4-cyano-3-hydroxybutyrate
Work with Ethyl (3R)-4-cyano-3-hydroxybutanoate
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
Diethyl 3-hydroxyglutarate32328-03-371 % similar
Ethyl 4-chloro-3-hydroxybutyrate10488-69-461 % similar
(±)-Ethyl 3-hydroxyhexanoate2305-25-161 % similar
Ethyl (3S)-4-chloro-3-hydroxybutanoate86728-85-061 % similar
Ethyl (R)-(+)-4-chloro-3-hydroxybutyrate90866-33-461 % similar
Ethyl (3S)-4-bromo-3-hydroxybutanoate95537-36-361 % similar
Ethyl cyanoacetate105-56-656 % similar
Ethyl (3R)-3-hydroxybutanoate24915-95-553 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.