9,10-Dioxostearic acid
Basic information
- CAS
656-73-5- Standard SMILES
CCCCCCCCC(=O)C(=O)CCCCCCCC(=O)O- InChIKey
UCJSYDRGZVWHJS-UHFFFAOYSA-N- Molecular formula
- C18H32O4
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.2300595
Overview
9,10-Dioxo-octadecanoic acid is a long-chain fatty acid.
Names & identifiers
- Preferred name
- 9,10-Dioxostearic acid
- IUPAC
- 9,10-dioxooctadecanoic acid
- English name
- stearoxylic acid
- Molecular formula
- C18H32O4
- Molecular weight
- 312.44
Names & synonyms
9,10-dioxooctadecanoic acidStearoxylic acid9,10-Dioxostearic acid68VDA4E84Q656-73-5Octadecanoic acid, 9,10-dioxo-RefChem:9146669,10-dioxo-octadecanoic acidUNII-68VDA4E84Q9,10-diketostearic acidSCHEMBL1482675CHEBI:165801
Show more names
LMFA02000264
Database identifiers
- CAS
656-73-5- PubChem CID
- 5312909
- ChEBI
CHEBI:165801- UNII
- 68VDA4E84Q
- Nikkaji
- J7.080G
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 71.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 16
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 323
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Octadecanoids [FA02] -> Other Octadecanoids [FA0200]
Physicochemical properties
- Melting point
- 85.5 · 85.5
- refractive index
- -
- FDA UNII
- 68 VDA4E84Q · 68VDA4E84Q
Chemistry & industry
Additional notes
DefinitionChEBI: 9,10-Dioxo-octadecanoic acid is a long-chain fatty acid.
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Related reactions
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Compound notes
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