Basic information
- CAS
6306-63-4- Standard SMILES
CC(CN(C)C)C(=O)c1ccccc1C(=O)O- InChIKey
LFJBYLRACCLXHW-UHFFFAOYSA-N- Molecular formula
- C13H17NO3
- Average molar mass
- 235.28 g/mol
- Monoisotopic mass
- 235.1208434
Names & identifiers
- Preferred name
- 2-(3-(Dimethylamino)-2-methylpropanoyl)benzoic acid
- IUPAC
- 2-[3-(dimethylamino)-2-methylpropanoyl]benzoic acid
Names & synonyms
NSC229926306-63-4CHEMBL2009237NCI60_001870PD0279292-(3-(dimethylamino)-2-methylpropanoyl)benzoic acid2-[3-(dimethylamino)-2-methyl-propanoyl]benzoic acid
Database identifiers
- CAS
6306-63-4- PubChem CID
- 409701
- ChEMBL
CHEMBL2009237
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 288
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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