| CAS Number | 90972-30-8 |
| Catalog Number | AG00IGDO(AGN-PC-0385N1) |
| Chemical Name | 2-Amino-5-methoxy-4-methylbenzoic acid |
| IUPAC Name | 2-amino-5-methoxy-4-methylbenzoic acid |
| InChI | InChI=1S/C9H11NO3/c1-5-3-7(10)6(9(11)12)4-8(5)13-2/h3-4H,10H2,1-2H3,(H,11,12) |
| InChI Key | ALKNPNFSCRLOBJ-UHFFFAOYSA-N |
| MDL Number | MFCD20639527 |
| Molecular Formula | C9H11NO3 |
| Molecular Weight | 181.1885 |
| SMILES | COC1=C(C)C=C(N)C(=C1)C(O)=O |
| Synonyms | 2-AMINO-5-METHOXY-4-METHYLBENZOIC ACID,
90972-30-8,
2-amino-5-methoxy-4-methyl-benzoic acid,
SCHEMBL3125277,
ALKNPNFSCRLOBJ-UHFFFAOYSA-N,
MFCD20639527,
ZINC95640769,
AS-42653,
Benzoic acid, 2-amino-5-methoxy-4-methyl,
|
| 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