| CAS Number | 24587-05-1 |
| Catalog Number | AG002ONX(AGN-PC-0WD4I7) |
| Chemical Name | 5-Amino-2,4-dimethylbenzoic acid |
| IUPAC Name | 5-amino-2,4-dimethylbenzoic acid |
| InChI | InChI=1S/C9H11NO2/c1-5-3-6(2)8(10)4-7(5)9(11)12/h3-4H,10H2,1-2H3,(H,11,12) |
| InChI Key | XPLHGPYPIQETMB-UHFFFAOYSA-N |
| MDL Number | MFCD17270950 |
| Molecular Formula | C9H11NO2 |
| Molecular Weight | 165.1891 |
| SMILES | NC=1C(=CC(=C(C(=O)O)C1)C)C |
| Synonyms | 5-Amino-2,4-dimethylbenzoic acid,
24587-05-1,
XPLHGPYPIQETMB-UHFFFAOYSA-N,
Benzoic acid, 5-amino-2,4-dimethyl-,
AC1LC970,
SCHEMBL4732592,
5-amino-2,4-dimethyl-benzoicacid,
MFCD17270950,
ZINC32204880,
AKOS011369933,
MCULE-4080928591,
NE33644,
AJ-84997,
Z1649394951,
CID596689,
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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