12-Hydroxyhexadecanoic acid
Basic information
- CAS
83646-62-2- Standard SMILES
CCCCC(O)CCCCCCCCCCC(=O)O- InChIKey
VXLJMBUCOXFMGJ-UHFFFAOYSA-N- Molecular formula
- C16H32O3
- Average molar mass
- 272.42 g/mol
- Monoisotopic mass
- 272.23514488
Overview
12-Hydroxyhexadecanoic acid is a long-chain fatty acid.
Names & identifiers
- Preferred name
- 12-Hydroxyhexadecanoic acid
- IUPAC
- 12-hydroxyhexadecanoic acid
- English name
- Hexadecanoic acid, 12-hydroxy-
- Molecular formula
- C16H32O3
- Molecular weight
- 272.42
Names & synonyms
12-HYDROXYHEXADECANOIC ACID83646-62-2DTXSID60574510RefChem:236393DTXCID40525282Hexadecanoic acid, 12-hydroxy-SCHEMBL709905CHEBI:195568AKOS003348412G64961
Database identifiers
- CAS
83646-62-2- PubChem CID
- 15569770
- DTXSID
DTXSID60574510- ChEBI
CHEBI:195568- Nikkaji
- J297.085F
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 14
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 204
Physicochemical properties
- Melting point
- 74 · 74.0-74.5 °C
- Boiling point
- 409.4 · 409.4±18.0 °C(Predicted)
- Density
- 0.955 · 0.955±0.06 g/cm3(Predicted)
- pka
- 4.78 · 4.78±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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