Basic information
- CAS
59094-71-2- Standard SMILES
Cc1ccc(C(C)CCC(=O)O)cc1- InChIKey
WSXBHPNNXXHZAP-UHFFFAOYSA-N- Molecular formula
- C12H16O2
- Average molar mass
- 192.25 g/mol
- Monoisotopic mass
- 192.11502975
Overview
11,12,13-Trinor-1,3,5-bisabolatrien-10-oic acid is a monoterpenoid.
Names & identifiers
- Preferred name
- 4-(4-Methylphenyl)pentanoic acid
- IUPAC
- 4-(4-methylphenyl)pentanoic acid
Names & synonyms
4-(4-methylphenyl)pentanoic acid26232-97-311,12,13-Trinor-1,3,5-bisabolatrien-10-oic acid59094-71-24-(p-Tolyl)pentanoic acid4-p-tolylpentanoic acidDihydro-a-norcurcumenic acidorb3178239g,4-Dimethylbenzenebutanoic acidSCHEMBL13383477DTXSID90974549CHEBI:179900
Show more names
AKOS004906201TN11846
Database identifiers
- CAS
59094-71-2- PubChem CID
- 42949
- DTXSID
DTXSID90974549- ChEBI
CHEBI:179900- Nikkaji
- J1.430.507F
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 181
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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