| CAS Number | 103204-70-2 |
| Catalog Number | AG008YT1(AGN-PC-0OS9MU) |
| Chemical Name | 5-Acetamido-2-methylbenzoic acid |
| IUPAC Name | 5-acetamido-2-methylbenzoic acid |
| InChI | InChI=1S/C10H11NO3/c1-6-3-4-8(11-7(2)12)5-9(6)10(13)14/h3-5H,1-2H3,(H,11,12)(H,13,14) |
| InChI Key | JWEWTGQYHKEENE-UHFFFAOYSA-N |
| MDL Number | MFCD09260822 |
| Molecular Formula | C10H11NO3 |
| Molecular Weight | 193.1992 |
| SMILES | O=C(O)C1=CC(NC(C)=O)=CC=C1C |
| Synonyms | 5-acetamido-2-methylbenzoic acid,
103204-70-2,
5-(acetylamino)-2-methylbenzoic acid,
o-Toluic acid, 5-acetamido- (6CI),
AC1P1XUD,
CTK6A0709,
ZINC7023268,
SBB091570,
AKOS012964098,
MCULE-9438609902,
NE33302,
Z1445555411,
CID8167139,
AE-562/43287085,
|
| 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 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number