chempirical

4-Methoxy-3-nitrobenzoic acid

C8H7NO5CAS 89-41-8197.15 g/mol

Open in Covalent MOL file
OOOHN+OO−
Carboxylic acidEtherNitro

Properties

Molecular formula
C8H7NO5
Molar mass
197.15 g/mol
Exact mass
197.0324 Da
Melting point
190–191 °C
logP
1.30Crippen estimate
Polar surface area
89.7 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
3

Identifiers

CAS number
89-41-8
SMILES
COc1ccc(C(=O)O)cc1[N+](=O)[O-]
InChIKey
ANXBDAFDZSXOPQ-UHFFFAOYSA-N
InChI
InChI=1S/C8H7NO5/c1-14-7-3-2-5(8(10)11)4-6(7)9(12)13/h2-4H,1H3,(H,10,11)

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Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • Benzoic acid, 4-methoxy-3-nitro-
  • p-Anisic acid, 3-nitro-
  • 3-Nitro-p-anisic acid
  • 3-Nitro-4-methoxybenzoic acid
  • NSC 29085

Work with 4-Methoxy-3-nitrobenzoic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Methoxy-4-nitrobenzoic acid5081-36-780 % similar 4-Methoxy-3-nitrobenzamide10397-58-770 % similar 1-(4-Methoxy-3-nitrophenyl)ethanone6277-38-969 % similar 4-Hydroxy-3-methoxy-5-nitrobenzoic acid15785-54-368 % similar 3,4-Dinitrobenzoic acid528-45-067 % similar 4-Amino-3-nitrobenzoic acid1588-83-664 % similar 4-Methyl-3-nitrobenzoic acid96-98-064 % similar Nitroterephthalic acid610-29-763 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Hydroxy-3-nitrophenylacetic acid10463-20-4 6-Nitro-1,3-benzodioxole-5-methanol15341-08-9 Methyl 5-nitrosalicylate17302-46-4 (4-Nitrophenoxy)acetic acid1798-11-4 2-Nitrophenoxyacetic acid1878-87-1 5-Methoxy-2-nitrobenzoic acid1882-69-5 Methyl 3-nitrosalicylate22621-41-6 2-Methoxy-4-nitrobenzoic acid2597-56-0

Elsewhere

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