3-(2,5-Dimethylphenyl)-3-methylbutanoic acid
Basic information
- CAS
416883-15-3- Standard SMILES
Cc1ccc(C)c(C(C)(C)CC(=O)O)c1- InChIKey
AJEDXECKOHLOEO-UHFFFAOYSA-N- Molecular formula
- C13H18O2
- Average molar mass
- 206.28 g/mol
- Monoisotopic mass
- 206.13067981
Names & identifiers
- Preferred name
- 3-(2,5-Dimethylphenyl)-3-methylbutanoic acid
- IUPAC
- 3-(2,5-dimethylphenyl)-3-methylbutanoic acid
Names & synonyms
CBMicro_0218043-(2,5-dimethylphenyl)-3-methylbutanoic acidCCG-9127AKOS001082404NCGC00337677-01BIM-0021858.P001AB01329164-02Z563472573-(2,5-DIMETHYL-PHENYL)-3-METHYL-BUTYRIC ACID
Database identifiers
- CAS
416883-15-3- PubChem CID
- 760135
- EC Number
- 149-962-4
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 233
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…