Octadecanoic acid, 9(or 10)-(methylphenyl)-
Basic information
- CAS
137085-77-9- Standard SMILES
CCCCCCCCCC(CCCCCCCC(=O)O)c1ccc(C)cc1- InChIKey
PNAYIMIYYPMNRM-UHFFFAOYSA-N- Molecular formula
- C25H42O2
- Average molar mass
- 374.6 g/mol
- Monoisotopic mass
- 374.31848058
Names & identifiers
- Preferred name
- Octadecanoic acid, 9(or 10)-(methylphenyl)-
- IUPAC
- 9-(4-methylphenyl)octadecanoic acid
Names & synonyms
Octadecanoic acid, 9(or 10)-(methylphenyl)-RefChem:85565427014-49-99-(4-methylphenyl)octadecanoic acidDTXSID80276201PNAYIMIYYPMNRM-UHFFFAOYSA-N137085-77-9
Database identifiers
- CAS
137085-77-9、27014-49-9- PubChem CID
- 117352
- DTXSID
DTXSID80276201
Properties
Computed structural properties
- XLogP
- 9.8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 17
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 344
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationOctadecanoic acid, 9(or 10)-(methylphenyl)-: INACTIVE
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Compound notes
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