| CAS Number | 128670-46-2 |
| Catalog Number | AG000YAI(AGN-PC-003O96) |
| Chemical Name | Benzoic acid, 5-amino-2,3-dimethoxy- |
| IUPAC Name | 5-amino-2,3-dimethoxybenzoic acid |
| InChI | InChI=1S/C9H11NO4/c1-13-7-4-5(10)3-6(9(11)12)8(7)14-2/h3-4H,10H2,1-2H3,(H,11,12) |
| InChI Key | OTPAKSUZQLTXRB-UHFFFAOYSA-N |
| MDL Number | MFCD17167852 |
| Molecular Formula | C9H11NO4 |
| Molecular Weight | 197.1879 |
| SMILES | O=C(O)C1=CC(N)=CC(OC)=C1OC |
| Synonyms | 5-amino-2,3-dimethoxybenzoic acid,
128670-46-2,
Benzoic acid, 5-amino-2,3-dimethoxy-,
ACMC-20msxr,
SCHEMBL3361544,
CTK0F6143,
DTXSID80567924,
ZINC57339923,
AKOS005151364,
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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 | 0.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number