Completing data — usually done within a minute
Basic information
- CAS
80559-38-2- Standard SMILES
CCCCCCCCCCCCCCCCC(=O)C(=O)O- InChIKey
JUCAMRNDACLKGY-UHFFFAOYSA-N- Molecular formula
- C18H34O3
- Average molar mass
- 298.5 g/mol
- Monoisotopic mass
- 298.25079494
Names & identifiers
- Preferred name
- Ketostearic acid
- IUPAC
- 2-oxooctadecanoic acid
Names & synonyms
ketostearic acidRefChem:9241372-Oxooctadecanoic acid2-oxo-octadecanoic acid2-oxostearic acid80559-38-24468-17-1oxo-stearic acid.alpha.-Ketostearic acid2-Oxooctadecanoic acid #SCHEMBL174462SCHEMBL17315852
Show more names
CHEBI:30820DTXSID20331404LMFA02000262HY-W718447C00869Q27104152
Database identifiers
- CAS
80559-38-2- PubChem CID
- 439332
- DTXSID
DTXSID20331404- ChEBI
CHEBI:30820- Nikkaji
- J206.201A
Properties
Computed structural propertiesFilling in
- XLogP
- 7.5
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 16
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 261
Related reactions
1 records
Compound notes
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