12-Hydroxyheptadeca-2,4,6-trienoic acid
Basic information
- CAS
67870-51-3- Standard SMILES
CCCCCC(O)CCCCC=CC=CC=CC(=O)O- InChIKey
UTMYMTCNAIVBEK-UHFFFAOYSA-N- Molecular formula
- C17H28O3
- Average molar mass
- 280.4 g/mol
- Monoisotopic mass
- 280.20384475
Names & identifiers
- Preferred name
- 12-Hydroxyheptadeca-2,4,6-trienoic acid
- IUPAC
- 12-hydroxyheptadeca-2,4,6-trienoic acid
Names & synonyms
12-HYDROXYHEPTADECA-2,4,6-TRIENOIC ACID67870-51-3SCHEMBL1062223DTXSID10710906
Database identifiers
- CAS
67870-51-3- PubChem CID
- 54371482
- DTXSID
DTXSID10710906
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 12
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 316
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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