| CAS Number | 90564-41-3 |
| Catalog Number | AG003FTI(AGN-PC-00LZFD) |
| Chemical Name | 2,4-Dimethoxy-5-nitrobenzoic acid |
| IUPAC Name | 2,4-dimethoxy-5-nitrobenzoic acid |
| InChI | InChI=1S/C9H9NO6/c1-15-7-4-8(16-2)6(10(13)14)3-5(7)9(11)12/h3-4H,1-2H3,(H,11,12) |
| InChI Key | RECRLCHPXXOYHZ-UHFFFAOYSA-N |
| MDL Number | MFCD12173036 |
| Molecular Formula | C9H9NO6 |
| Molecular Weight | 227.1709 |
| SMILES | O=C(O)C1=CC([N+]([O-])=O)=C(OC)C=C1OC |
| Synonyms | 2,4-diMethoxy-5-nitrobenzoic acid,
90564-41-3,
SCHEMBL5095253,
DTXSID20536114,
RECRLCHPXXOYHZ-UHFFFAOYSA-N,
4,6-Dimethoxy-3-nitrobenzoic acid,
MFCD12173036,
ZINC35333708,
AKOS009487472,
TRA0078085,
AJ-91337,
AK142351,
AX8282207,
FT-0720354,
ST24038667,
2,4-Dimethoxy-5-nitrobenzoicacid,
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| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.172g/mol |
| Monoisotopic Mass | 227.043g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 102A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number