3-Chlorolactic acid, (R)-
Basic information
- CAS
61505-41-7- Standard SMILES
O=C(O)[C@@H](O)CCl- InChIKey
OSLCJYYQMKPZHU-REOHCLBHSA-N- Molecular formula
- C3H5ClO3
- Average molar mass
- 124.52 g/mol
- Monoisotopic mass
- 123.9927217
Names & identifiers
- Preferred name
- 3-Chlorolactic acid, (R)-
- IUPAC
- (2R)-3-chloro-2-hydroxypropanoic acid
- English name
- (R)-3-Chlorolactic acid
- Molecular formula
- C3H5ClO3
- Molecular weight
- 124.52
Names & synonyms
61505-41-7Propanoic acid, 3-chloro-2-hydroxy-, (2R)-3-Chlorolactic acid, (R)-UNII-UP872N6HKUUP872N6HKU(r)-3-chloro-2-hydroxypropanoic acidL-beta-Chlorolactic acid3-CHLOROLACTIC ACID, L-3-CHLOROLACTIC ACID, (+)-(R)-.BETA.-CHLOROLACTIC ACIDRefChem:198266(R)-BETA-CHLOROLACTIC ACID
Show more names
(+)-3-Chloro-L-lactic acid(S)-3-chloro-2-hydroxypropanoic acid(R)-3-Chloro-2-hydroxypropionic acid
L-.BETA.-CHLOROLACTIC ACID(R)-3-chlorolactic acid(2R)-3-chloro-2-hydroxypropanoic acid(R)-3-CHLOROLACTICACID(2R)-3-chloro-2-hydroxy-propanoic acidC3H5ClO3Propanoic acid,3-chloro-2-hydroxy-, (2R)-SCHEMBL1406067
Database identifiers
- CAS
61505-41-7- PubChem CID
- 182297
- UNII
- UP872N6HKU
- Nikkaji
- J70.503I
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 72.6
Physicochemical properties
- Melting point
- 88 · 88-89 °C
- Boiling point
- 259.5 · 259.5±20.0 °C(Predicted)
- Density
- 1.519 · 1.519±0.06 g/cm3(Predicted)
- pka
- 3.23 · 3.23±0.11(Predicted)
- FDA UNII
- 872 N6HKU · UP872N6HKU
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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