| CAS Number | 61203-50-7 |
| Catalog Number | AG01BG77(AGN-PC-00OO9J) |
| Chemical Name | 2-Hydroxy-3-methoxy-4-nitrobenzoic acid |
| IUPAC Name | 2-hydroxy-3-methoxy-4-nitrobenzoic acid |
| InChI | InChI=1S/C8H7NO6/c1-15-7-5(9(13)14)3-2-4(6(7)10)8(11)12/h2-3,10H,1H3,(H,11,12) |
| InChI Key | GWMPFGBRRHGDRA-UHFFFAOYSA-N |
| MDL Number | MFCD28118856 |
| Molecular Formula | C8H7NO6 |
| Molecular Weight | 213.1443 |
| SMILES | COC1=C([N+]([O-])=O)C=CC(C(O)=O)=C1O |
| Synonyms | 2-Hydroxy-3-methoxy-4-nitrobenzoic acid,
61203-50-7,
Benzoic acid, 2-hydroxy-3-methoxy-4-nitro-,
SCHEMBL791231,
CTK2E4988,
DTXSID60570759,
GWMPFGBRRHGDRA-UHFFFAOYSA-N,
MFCD28118856,
ZINC34514893,
AS-35937,
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| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.145g/mol |
| Monoisotopic Mass | 213.027g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 113A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
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