| CAS Number | 1180497-46-4 |
| Catalog Number | AG01ABK3 |
| Chemical Name | 2-Amino-5-methoxy-3-methylbenzoic acid |
| IUPAC Name | 2-amino-5-methoxy-3-methylbenzoic acid |
| InChI | InChI=1S/C9H11NO3/c1-5-3-6(13-2)4-7(8(5)10)9(11)12/h3-4H,10H2,1-2H3,(H,11,12) |
| InChI Key | XXPURUMOXCPQJB-UHFFFAOYSA-N |
| MDL Number | MFCD17238070 |
| Molecular Formula | C9H11NO3 |
| Molecular Weight | 181.1885 |
| SMILES | COC1=CC(C(O)=O)=C(N)C(C)=C1 |
| Synonyms | 2-amino-5-methoxy-3-methylbenzoic acid,
1180497-46-4,
ZINC61568317,
AKOS012169727,
MCULE-8107241908,
NE28516,
Z1675167144,
|
| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.191g/mol |
| Monoisotopic Mass | 181.074g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 72.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number