4-Methoxy-3-(3-methoxyphenyl)-5-nitrobenzoic acid - CAS 1381944-20-2
Catalog: |
BB059359 |
Product Name: |
4-Methoxy-3-(3-methoxyphenyl)-5-nitrobenzoic acid |
CAS: |
1381944-20-2 |
Synonyms: |
4-Methoxy-3-(3-methoxyphenyl)-5-nitrobenzoic acid; 3',6-Dimethoxy-5-nitro-[1,1'-biphenyl]-3-carboxylic acid; 3',6-Dimethoxy-5-nitro-[1,1'-biphenyl]-3-carboxylicacid; 3',6-Dimethoxy-5-nitro[1,1'-biphenyl]-3-carboxylic acid |
IUPAC Name: | 4-methoxy-3-(3-methoxyphenyl)-5-nitrobenzoic acid |
Description: | 4-Methoxy-3-(3-methoxyphenyl)-5-nitrobenzoic acid |
Molecular Weight: | 303.27 |
Molecular Formula: | C15H13NO6 |
Canonical SMILES: | COC1=CC=CC(=C1)C2=C(C(=CC(=C2)C(=O)O)[N+](=O)[O-])OC |
InChI: | InChI=1S/C15H13NO6/c1-21-11-5-3-4-9(6-11)12-7-10(15(17)18)8-13(16(19)20)14(12)22-2/h3-8H,1-2H3,(H,17,18) |
InChI Key: | PGSQOXHXJIJTGB-UHFFFAOYSA-N |
Complexity: | 409 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 303.07428713 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 303.07428713 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 102Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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