chempirical

3-Methoxy-2-nitrobenzoic acid

C8H7NO5CAS 4920-80-3197.15 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
162–163 °C
logP
1.30Crippen estimate
Polar surface area
89.7 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
3

Identifiers

CAS number
4920-80-3
SMILES
COc1cccc(C(=O)O)c1[N+](=O)[O-]
InChIKey
YMOMYSDAOXOCID-UHFFFAOYSA-N
InChI
InChI=1S/C8H7NO5/c1-14-6-4-2-3-5(8(10)11)7(6)9(12)13/h2-4H,1H3,(H,10,11)

Weigh it out

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

Names and synonyms

4 names
  • Benzoic acid, 3-methoxy-2-nitro-
  • m-Anisic acid, 2-nitro-
  • 2-Nitro-3-methoxybenzoic acid
  • NSC 609

Work with 3-Methoxy-2-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

2-Nitro-1,3-benzenedicarboxylic acid21161-11-572 % similar 3-Methyl-2-nitrobenzoic acid5437-38-766 % similar 3-Chloro-2-nitrobenzoic acid4771-47-563 % similar 3-Fluoro-2-nitrobenzoic acid1000339-51-462 % similar O-Anisic acid579-75-961 % similar 4,5-Dimethoxy-2-nitrobenzoic acid4998-07-660 % similar 2,3-Dimethoxybenzoic acid1521-38-660 % similar 3-Methoxysalicylic acid877-22-559 % 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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