| CAS Number | 723284-11-5 |
| Catalog Number | AG01FR0K(AGN-PC-3H5PCE) |
| Chemical Name | 2-Hydroxy-4-methoxy-5-nitro-benzoic acid |
| IUPAC Name | 2-hydroxy-4-methoxy-5-nitrobenzoic acid |
| InChI | InChI=1S/C8H7NO6/c1-15-7-3-6(10)4(8(11)12)2-5(7)9(13)14/h2-3,10H,1H3,(H,11,12) |
| InChI Key | SGJMZHXWMUSUBE-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO6 |
| Molecular Weight | 213.1443 |
| SMILES | |
| Synonyms | 2-hydroxy-4-methoxy-5-nitrobenzoic acid,
723284-11-5,
ZINC169800252,
OR400486,
|
| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.027337g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.14g/mol |
| Monoisotopic Mass | 213.027337g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 113Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number