| CAS Number | 124784-13-0 |
| Catalog Number | AG01BTLN(AGN-PC-00PZJ4) |
| Chemical Name | 3-Amino-2,6-dimethylbenzoic acid |
| IUPAC Name | 3-amino-2,6-dimethylbenzoic acid |
| InChI | InChI=1S/C9H11NO2/c1-5-3-4-7(10)6(2)8(5)9(11)12/h3-4H,10H2,1-2H3,(H,11,12) |
| InChI Key | AQZUFQJRBICMRZ-UHFFFAOYSA-N |
| MDL Number | MFCD16249764 |
| Molecular Formula | C9H11NO2 |
| Molecular Weight | 165.1891 |
| SMILES | CC1=C(C(O)=O)C(C)=C(N)C=C1 |
| Synonyms | 3-amino-2,6-dimethylbenzoic acid,
124784-13-0,
SCHEMBL6240526,
AQZUFQJRBICMRZ-UHFFFAOYSA-N,
3-Amino-2,6-dimethyl-benzoic acid,
ZINC34612901,
AKOS023769152,
Benzoic acid, 3-amino-2,6-dimethyl-,
Z2755724061,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 165.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 165.192g/mol |
| Monoisotopic Mass | 165.079g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number