6-Hydroxydodecanoic acid
Basic information
- CAS
35875-13-9- Standard SMILES
CCCCCCC(O)CCCCC(=O)O- InChIKey
JSSMLGKWQYPKBS-UHFFFAOYSA-N- Molecular formula
- C12H24O3
- Average molar mass
- 216.32 g/mol
- Monoisotopic mass
- 216.17254462
Names & identifiers
- Preferred name
- 6-Hydroxydodecanoic acid
- IUPAC
- 6-hydroxydodecanoic acid
- English name
- 6-Hydroxylauric acid
- Molecular formula
- C12H24O3
- Molecular weight
- 216.32
Names & synonyms
6-HYDROXYDODECANOIC ACID35875-13-9DTXSID60275398RefChem:308590DTXCID002268446-hydroxylauric acidSCHEMBL667755CHEMBL4279005MFCD24480142SY370592G65095Dodecanoic acid, 6-hydroxy-
Database identifiers
- CAS
35875-13-9- PubChem CID
- 37289
- DTXSID
DTXSID60275398- ChEMBL
CHEMBL4279005- Nikkaji
- J262.041C
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 157
Physicochemical properties
- Melting point
- 56 · 56-58 °C
- Boiling point
- 130 °C · 130 °C(Press: 1.8 Torr)
- Density
- 0.987 · 0.987±0.06 g/cm3(Predicted)
- pka
- 4.75 · 4.75±0.10(Predicted)
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Related reactions
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Compound notes
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