| CAS Number | 861556-80-1 |
| Catalog Number | AG019T3A |
| Chemical Name | 3-Amino-4,5-dimethoxybenzoic acid |
| IUPAC Name | 3-amino-4,5-dimethoxybenzoic acid |
| InChI | InChI=1S/C9H11NO4/c1-13-7-4-5(9(11)12)3-6(10)8(7)14-2/h3-4H,10H2,1-2H3,(H,11,12) |
| InChI Key | HEPJDTPDDWAKEV-UHFFFAOYSA-N |
| MDL Number | MFCD17276595 |
| Molecular Formula | C9H11NO4 |
| Molecular Weight | 197.1879 |
| SMILES | COC1=CC(=CC(=C1OC)N)C(=O)O |
| Synonyms | 3-amino-4,5-dimethoxybenzoic acid,
861556-80-1,
ZINC62350560,
AKOS012322757,
MCULE-6659573401,
NE23051,
Z1276745163,
|
| Complexity | 209 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.068808g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.19g/mol |
| Monoisotopic Mass | 197.068808g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 81.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number