chempirical

3-Nitrosalicylic acid

C7H5NO5CAS 85-38-1183.12 g/mol

Open in Covalent MOL file
OHON+OO−HO
Carboxylic acidNitroPhenol

Properties

Molecular formula
C7H5NO5
Molar mass
183.12 g/mol
Exact mass
183.0168 Da
Melting point
148 °C
logP
1.00Crippen estimate
Polar surface area
100.7 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2

Identifiers

CAS number
85-38-1
SMILES
O=C(O)c1cccc([N+](=O)[O-])c1O
InChIKey
WWWFHFGUOIQNJC-UHFFFAOYSA-N
InChI
InChI=1S/C7H5NO5/c9-6-4(7(10)11)2-1-3-5(6)8(12)13/h1-3,9H,(H,10,11)

Weigh it out

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

Names and synonyms

4 names
  • Benzoic acid, 2-hydroxy-3-nitro-
  • Salicylic acid, 3-nitro-
  • 2-Hydroxy-3-nitrobenzoic acid
  • NSC 182

Work with 3-Nitrosalicylic 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-Nitrobenzoic acid552-16-971 % similar 2-Chloro-3-nitrobenzoic acid3970-35-268 % similar 2-Methyl-3-nitrobenzoic acid1975-50-467 % similar 2′-Hydroxy-3′-nitroacetophenone28177-69-767 % similar 2-Amino-3-nitrobenzoic acid606-18-867 % similar 2-Nitro-1,3-benzenedicarboxylic acid21161-11-564 % similar 2,6-Dinitrophenol573-56-864 % similar 3,5-Dinitrosalicylic acid609-99-463 % similar

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

Same formula

3,4-Dihydroxy-5-nitrobenzaldehyde116313-85-0 Chelidamic acid138-60-3 5-Hydroxy-2-nitrobenzoic acid610-37-7 4-Hydroxy-3-nitrobenzoic acid616-82-0 3-Hydroxy-4-nitrobenzoic acid619-14-7 2-Hydroxy-4-nitrobenzoic acid619-19-2 3-(5-Nitro-2-furyl)acrylic acid6281-23-8 5-Nitrosalicylic acid96-97-9

Elsewhere

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