2-(2-Carboxy-2-methylpropyl)-4,6-dimethylbenzoic acid
Basic information
- CAS
23342-29-2- Standard SMILES
Cc1cc(C)c(C(=O)O)c(CC(C)(C)C(=O)O)c1- InChIKey
AGXDBBWISJYAST-UHFFFAOYSA-N- Molecular formula
- C14H18O4
- Average molar mass
- 250.29 g/mol
- Monoisotopic mass
- 250.12050905
Overview
2-(2-carboxy-2-methylpropyl)-4,6-dimethylbenzoic acid is a member of benzenes and a monocarboxylic acid.
Names & identifiers
- Preferred name
- 2-(2-Carboxy-2-methylpropyl)-4,6-dimethylbenzoic acid
- IUPAC
- 2-(2-carboxy-2-methylpropyl)-4,6-dimethylbenzoic acid
- English name
- 2-(2-Carboxy-2-methylpropyl)-4,6-dimethylbenzoic acid
- Molecular formula
- C14H18O4
- Molecular weight
- 250.29
Names & synonyms
23342-29-22-(2-carboxy-2-methylpropyl)-4,6-dimethylbenzoic acidBenzenepropanoic acid, 2-carboxy-alpha,alpha,3,5-tetramethyl-CDS1_000120Maybridge1_002408Oprea1_201987MLS000849849DivK1c_001160SCHEMBL7827171CHEMBL1348923HMS548F10DTXSID60384393
Show more names
Benzenepropanoic acid, 2-carboxy-α,α,3,5-tetramethyl-2,4-DIMETHYL-6-(2''-METHYLPROPYL)BENZENE-1,2''-DICARBOXYLIC ACID
CHEBI:228744HMS2804G21CCG-243131SMR000455867
Database identifiers
- CAS
23342-29-2- PubChem CID
- 2803154
- DTXSID
DTXSID60384393- ChEMBL
CHEMBL1348923- ChEBI
CHEBI:228744
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 335
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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