Heptanoic acid, 2-hydroxy-, (S)-
Basic information
- CAS
52437-21-5- Standard SMILES
CCCCC[C@H](O)C(=O)O- InChIKey
RGMMREBHCYXQMA-LURJTMIESA-N- Molecular formula
- C7H14O3
- Average molar mass
- 146.18 g/mol
- Monoisotopic mass
- 146.0942943
Names & identifiers
- Preferred name
- Heptanoic acid, 2-hydroxy-, (S)-
- IUPAC
- (2S)-2-hydroxyheptanoic acid
Names & synonyms
Heptanoic acid, 2-hydroxy-, (S)-52437-21-5DTXSID10427582RefChem:347253DTXCID80378416(2S)-2-hydroxyheptanoic acid2(s)-hydroxyheptanoic acidSCHEMBL13897852
Database identifiers
- CAS
52437-21-5- PubChem CID
- 7054558
- DTXSID
DTXSID10427582- Nikkaji
- J72.194H
Properties
Computed structural properties
- XLogP
- 1.5
- 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
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Compound notes
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