Basic information
- CAS
91133-39-0- Standard SMILES
CC(=O)Nc1c(C)cc(C(=O)O)cc1C- InChIKey
MLDROYFTXVEVOV-UHFFFAOYSA-N- Molecular formula
- C11H13NO3
- Average molar mass
- 207.23 g/mol
- Monoisotopic mass
- 207.08954328
Names & identifiers
- Preferred name
- 4-(Acetylamino)-3,5-dimethylbenzoic acid
- IUPAC
- 4-acetamido-3,5-dimethylbenzoic acid
Names & synonyms
4-acetamido-3,5-dimethylbenzoic acid4-(acetylamino)-3,5-dimethylbenzoic acid91133-39-0NSC73089NCIOpen2_003798SCHEMBL18053313DTXSID20291094NSC-73089SBB093859AKOS040824825benzoic acid, 4-(acetylamino)-3,5-dimethyl-EN300-9425346
Show more names
AE-562/43287094
Database identifiers
- CAS
91133-39-0- PubChem CID
- 251998
- DTXSID
DTXSID20291094
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 253
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…