| CAS Number | 926195-40-6 |
| Catalog Number | AG019T6Z |
| Chemical Name | 2-(N-methylpropanamido)benzoic acid |
| IUPAC Name | 2-[methyl(propanoyl)amino]benzoic acid |
| InChI | InChI=1S/C11H13NO3/c1-3-10(13)12(2)9-7-5-4-6-8(9)11(14)15/h4-7H,3H2,1-2H3,(H,14,15) |
| InChI Key | YOZGYUWJZYROAE-UHFFFAOYSA-N |
| MDL Number | MFCD09050612 |
| Molecular Formula | C11H13NO3 |
| Molecular Weight | 207.2258 |
| SMILES | CCC(N(C1=C(C(O)=O)C=CC=C1)C)=O |
| Synonyms | 2-(N-methylpropanamido)benzoic acid,
926195-40-6,
SCHEMBL13041531,
CTK6C6627,
ZINC11638240,
AKOS000133893,
MCULE-4208328868,
NE40726,
2-[METHYL(PROPIONYL)AMINO]BENZOIC ACID,
Z224209256,
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.089543g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.23g/mol |
| Monoisotopic Mass | 207.089543g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number