| CAS Number | 1261908-88-6 |
| Catalog Number | AG00HKOO |
| Chemical Name | 3-(3-Methoxycarbonylphenyl)-5-nitrobenzoic acid |
| IUPAC Name | 3-(3-methoxycarbonylphenyl)-5-nitrobenzoic acid |
| InChI | InChI=1S/C15H11NO6/c1-22-15(19)10-4-2-3-9(5-10)11-6-12(14(17)18)8-13(7-11)16(20)21/h2-8H,1H3,(H,17,18) |
| InChI Key | PWINGVGBNUZPNV-UHFFFAOYSA-N |
| MDL Number | MFCD18321217 |
| Molecular Formula | C15H11NO6 |
| Molecular Weight | 301.2509 |
| SMILES | COC(=O)c1cccc(c1)c1cc(cc(c1)C(=O)O)[N+](=O)[O-] |
| Synonyms | 1261908-88-6,
3-(3-METHOXYCARBONYLPHENYL)-5-NITROBENZOIC ACID,
3'-(Methoxycarbonyl)-5-nitro-[1,1'-biphenyl]-3-carboxylic acid,
DTXSID70690694,
MFCD18321217,
K-2380,
3'-(Methoxycarbonyl)-5-nitro[1,1'-biphenyl]-3-carboxylic acid,
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| Complexity | 446 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 301.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 301.254g/mol |
| Monoisotopic Mass | 301.059g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 109A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
Lot Number