(R)-3-(Hydroxymethyl)hexanoic acid
Basic information
- CAS
2096999-79-8- Standard SMILES
CCC[C@@H](CO)CC(=O)O- InChIKey
RCEHLBBNNJCSDL-ZCFIWIBFSA-N- Molecular formula
- C7H14O3
- Average molar mass
- 146.18 g/mol
- Monoisotopic mass
- 146.0942943
Names & identifiers
- Preferred name
- (R)-3-(Hydroxymethyl)hexanoic acid
- IUPAC
- (3R)-3-(hydroxymethyl)hexanoic acid
- English name
- Hexanoic acid, 3-(hydroxymethyl)-, (3R)-
- Molecular formula
- C7H14O3
- Molecular weight
- 146.18
Names & synonyms
(R)-3-(Hydroxymethyl)hexanoic acid2096999-79-8SCHEMBL277590142L499P42DH(3R)-3-(Hydroxymethyl)hexanoic acid3-(Hydroxymethyl)hexanoic acid, (3R)-Hexanoic acid, 3-(hydroxymethyl)-, (3R)-Brivaracetam Impurity 58Brivaracetam Impurity 38 Sodium Salt
Database identifiers
- CAS
2096999-79-8- PubChem CID
- 54259061
- UNII
- 2L499P42DH
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 101
Physicochemical properties
- Boiling point
- 292.3 · 292.3±23.0 °C(Predicted)
- Density
- 1.07 · 1.070±0.06 g/cm3(Predicted)
- pka
- 4.6 · 4.60±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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