| CAS Number | 148546-85-4 |
| Catalog Number | AG00HXMY(AGN-PC-0235J1) |
| Chemical Name | Methyl 3-amino-4,5-dimethoxybenzoate |
| IUPAC Name | methyl 3-amino-4,5-dimethoxybenzoate |
| InChI | InChI=1S/C10H13NO4/c1-13-8-5-6(10(12)15-3)4-7(11)9(8)14-2/h4-5H,11H2,1-3H3 |
| InChI Key | ZDURWSKEQGIEJE-UHFFFAOYSA-N |
| MDL Number | MFCD13704934 |
| Molecular Formula | C10H13NO4 |
| Molecular Weight | 211.2145 |
| SMILES | COC(C1=CC(OC)=C(OC)C(N)=C1)=O |
| Synonyms | methyl 3-amino-4,5-dimethoxybenzoate,
148546-85-4,
Benzoic acid, 3-amino-4,5-dimethoxy-, methyl ester,
SCHEMBL9333497,
ZDURWSKEQGIEJE-UHFFFAOYSA-N,
ALBB-025464,
MFCD13704934,
SBB051647,
STL432332,
ZINC40457360,
AKOS012322366,
MCULE-1825508928,
ST093515,
T3467,
EN300-86003,
Z1259162085,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.217g/mol |
| Monoisotopic Mass | 211.084g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 70.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number