| CAS Number | 103204-68-8 |
| Catalog Number | AG009SEQ(AGN-PC-0OS9LQ) |
| Chemical Name | 3-acetamido-2-methylbenzoic acid |
| IUPAC Name | 3-acetamido-2-methylbenzoic acid |
| InChI | InChI=1S/C10H11NO3/c1-6-8(10(13)14)4-3-5-9(6)11-7(2)12/h3-5H,1-2H3,(H,11,12)(H,13,14) |
| InChI Key | NWXFTFZSOVTXIX-UHFFFAOYSA-N |
| MDL Number | MFCD11844217 |
| Molecular Formula | C10H11NO3 |
| Molecular Weight | 193.1992 |
| SMILES | CC(NC1=C(C)C(C(O)=O)=CC=C1)=O |
| Synonyms | 3-ACETAMIDO-2-METHYLBENZOIC ACID,
103204-68-8,
3-(acetylamino)-2-methylbenzoic acid,
o-Toluic acid, 3-acetamido- (6CI),
SCHEMBL9848863,
CTK6A1065,
3-acetylamino-2-methylbenzoic acid,
STK498827,
ZINC20136410,
AKOS000104744,
MCULE-4875389284,
NE32010,
AP-970/43482352,
Z364368134,
|
| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.202g/mol |
| Monoisotopic Mass | 193.074g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number