| CAS Number | 909391-41-9 |
| Catalog Number | AG00IGD2(AGN-PC-0CLK5K) |
| Chemical Name | 2-Amino-5-hydroxy-4-methylbenzoic acid |
| IUPAC Name | 2-amino-5-hydroxy-4-methylbenzoic acid |
| InChI | InChI=1S/C8H9NO3/c1-4-2-6(9)5(8(11)12)3-7(4)10/h2-3,10H,9H2,1H3,(H,11,12) |
| InChI Key | YZUKNPZJZZSSEW-UHFFFAOYSA-N |
| MDL Number | MFCD20659125 |
| Molecular Formula | C8H9NO3 |
| Molecular Weight | 167.1620 |
| SMILES | O=C(O)C1(=C(N)C=C(C)C(=C1)O) |
| Synonyms | 2-AMINO-5-HYDROXY-4-METHYLBENZOIC ACID,
909391-41-9,
SCHEMBL3124934,
YZUKNPZJZZSSEW-UHFFFAOYSA-N,
KS-00003SE6,
MFCD20659125,
ZINC96028999,
AKOS025393598,
TS-00139,
Benzoic acid, 2-amino-5-hydroxy-4-methyl-,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.164g/mol |
| Monoisotopic Mass | 167.058g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 83.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number