Basic information
- CAS
1069-92-7- Standard SMILES
CCCCCCC(CCCCCCCCCCC(=O)O)OC(C)=O- InChIKey
KWUXACZIGUKKOV-UHFFFAOYSA-N- Molecular formula
- C20H38O4
- Average molar mass
- 342.5 g/mol
- Monoisotopic mass
- 342.2770097
Names & identifiers
- Preferred name
- 12-Acetoxystearic acid
- IUPAC
- 12-acetyloxyoctadecanoic acid
- English name
- 12-Acetyloxystearic acid
- Molecular weight
- 0
Names & synonyms
12-acetoxystearic acid12-acetyloxyoctadecanoic Acid12-Acetyloxystearic acid1069-92-712-(Acetyloxy)octadecanoic acid12-Hydroxystearic acid acetate267DEU129COctadecanoic acid, 12-(acetyloxy)-12-Acetoxyoctadecanoic acidOctadecanoic acid, 12-hydroxy-, acetateUNII-267DEU129CSCHEMBL450282
Show more names
DTXSID80276069KWUXACZIGUKKOV-UHFFFAOYSA-NQ27254060
Database identifiers
- CAS
1069-92-7- PubChem CID
- 109202
- DTXSID
DTXSID80276069- UNII
- 267DEU129C
- Nikkaji
- J22.480D
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 18
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 315
Physicochemical properties
- FDA UNII
- 267 DEU129C · 267DEU129C
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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