| CAS Number | 64289-45-8 |
| Catalog Number | AG00IBCH(AGN-PC-03UPYN) |
| Chemical Name | 3-Amino-2,4-dimethylbenzoic acid |
| IUPAC Name | 3-amino-2,4-dimethylbenzoic acid |
| InChI | InChI=1S/C9H11NO2/c1-5-3-4-7(9(11)12)6(2)8(5)10/h3-4H,10H2,1-2H3,(H,11,12) |
| InChI Key | OXASAUXTASIZPW-UHFFFAOYSA-N |
| MDL Number | MFCD20641501 |
| Molecular Formula | C9H11NO2 |
| Molecular Weight | 165.1891 |
| SMILES | O=C(O)C1=CC=C(C)C(N)=C1C |
| Synonyms | 3-Amino-2,4-dimethylbenzoic acid,
64289-45-8,
3-amino-2,4-dimethyl-benzoic acid,
SCHEMBL1457096,
OXASAUXTASIZPW-UHFFFAOYSA-N,
methyl 3-amino-2-methylbenzoic acid,
2122AJ,
ZINC71609246,
Benzoic acid, 3-amino-2,4-dimethyl-,
FCH1221256,
AJ-118234,
AX8292330,
C9H11NO2,
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| 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
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Certificate of Analysis
Lot Number