Docosenoic Acid
Basic information
- CAS
25378-26-1- Standard SMILES
CCCCCCCCCCCCCCCCCCC/C=C/C(=O)O- InChIKey
ATNNLHXCRAAGJS-QZQOTICOSA-N- Molecular formula
- C22H42O2
- Average molar mass
- 338.6 g/mol
- Monoisotopic mass
- 338.31848058
Overview
(2E)-docos-2-enoic acid has been reported in Taraxacum officinale, Fagopyrum esculentum, and other organisms with data available.
Names & identifiers
- Preferred name
- Docosenoic Acid
- IUPAC
- (E)-docos-2-enoic acid
Names & synonyms
Docosenoic acid(E)-docos-2-enoic acid25378-26-1fatty acid 22:1RefChem:135376CHEBI:36031C22:1CHEMBL4284416docosenic acidSCHEMBL3390292ATNNLHXCRAAGJS-QZQOTICOSA-NBDBM50466177
Database identifiers
- CAS
25378-26-1- PubChem CID
- 6433893
- ChEMBL
CHEMBL4284416- Nikkaji
- J107.507A、J107.508J
Properties
Computed structural properties
- XLogP
- 10.3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 19
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 284
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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