| CAS Number | 79263-00-6 |
| Catalog Number | AG008MK9(AGN-PC-0NKI7D) |
| Chemical Name | Benzoic acid, 2-amino-3,5-dimethoxy- |
| IUPAC Name | 2-amino-3,5-dimethoxybenzoic acid |
| InChI | InChI=1S/C9H11NO4/c1-13-5-3-6(9(11)12)8(10)7(4-5)14-2/h3-4H,10H2,1-2H3,(H,11,12) |
| InChI Key | OACFQDBLYWKDMK-UHFFFAOYSA-N |
| MDL Number | MFCD12159987 |
| Molecular Formula | C9H11NO4 |
| Molecular Weight | 197.1879 |
| SMILES | O=C(O)C1=CC(OC)=CC(OC)=C1N |
| Synonyms | 2-amino-3,5-dimethoxybenzoic acid,
79263-00-6,
Benzoic acid, 2-amino-3,5-dimethoxy-,
AC1Q486U,
SCHEMBL10579632,
CTK2G4356,
DTXSID40511226,
ZINC37475572,
AKOS010054995,
MCULE-4078523422,
NE62510,
EN300-64831,
Z234896241,
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| Complexity | 209 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.069g/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 | 197.069g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 81.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number