3-(2,5-dimethylphenyl)butanoic Acid
Basic information
- CAS
53086-51-4- Standard SMILES
Cc1ccc(C)c(C(C)CC(=O)O)c1- InChIKey
PXKLJKBWMFHYCB-UHFFFAOYSA-N- Molecular formula
- C12H16O2
- Average molar mass
- 192.25 g/mol
- Monoisotopic mass
- 192.11502975
Names & identifiers
- Preferred name
- 3-(2,5-dimethylphenyl)butanoic Acid
- IUPAC
- 3-(2,5-dimethylphenyl)butanoic acid
Names & synonyms
3-(2,5-dimethylphenyl)butanoic Acid53086-51-43-(2,5-dimethyl-phenyl)-butyric acid(R)-3-(2,5-Dimethylphenyl)butanoic Acid(S)-3-(2,5-Dimethylphenyl)butanoic AcidSCHEMBL1520420AKOS0092186192349561-16-42349819-76-5SY385991SY386022CS-0280193
Show more names
EN300-1846182
Database identifiers
- CAS
53086-51-4- PubChem CID
- 4533006
- EC Number
- 104-268-0
- Nikkaji
- J2.002.000H
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 200
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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