Basic information
- CAS
30275-76-4- Standard SMILES
Cc1ccc(C)c(CC(C)CC(=O)O)c1- InChIKey
RPPRCNUBOAUVCI-UHFFFAOYSA-N- Molecular formula
- C13H18O2
- Average molar mass
- 206.28 g/mol
- Monoisotopic mass
- 206.13067981
Names & identifiers
- Preferred name
- 4-(2,5-Dimethylphenyl)-3-methylbutanoic acid
- IUPAC
- 4-(2,5-dimethylphenyl)-3-methylbutanoic acid
- English name
- 3-Methyl-4-(2,5-xylyl)butyric acid
- Molecular formula
- C13H18O2
- Molecular weight
- 206.28
Names & synonyms
30275-76-43-METHYL-4-(2,5-XYLYL)BUTANOIC ACID4-(2,5-Dimethylphenyl)-3-methylbutanoic acid3-Methyl-4-(2,5-xylyl)butyric acidButyric acid, 3-methyl-4-(2,5-xylyl)-DTXSID60952637RPPRCNUBOAUVCI-UHFFFAOYSA-NAKOS0175560014-(2,5-Dimethylphenyl)-3-methylbutanoic acid #
Database identifiers
- CAS
30275-76-4- PubChem CID
- 34872
- DTXSID
DTXSID60952637- Nikkaji
- J130.702I
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 213
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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