chempirical

2-Hydroxy-5-methoxy-3-nitrobenzaldehyde

C8H7NO5CAS 34549-69-4197.15 g/mol

Open in Covalent MOL file
ON+OO−OHO
AldehydeEtherNitroPhenol

Properties

Molecular formula
C8H7NO5
Molar mass
197.15 g/mol
Exact mass
197.0324 Da
logP
1.12Crippen estimate
Polar surface area
89.7 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
3

Identifiers

CAS number
34549-69-4
SMILES
COC1=CC(=C(C(=C1)[N+](=O)[O-])O)C=O
InChIKey
CCHTVTHOPTTYSY-UHFFFAOYSA-N
InChI
InChI=1S/C8H7NO5/c1-14-6-2-5(4-10)8(11)7(3-6)9(12)13/h2-4,11H,1H3

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Names and synonyms

1 names
  • 2-Hydroxy-5-methoxy-3-nitro-benzaldehyde

Work with 2-Hydroxy-5-methoxy-3-nitrobenzaldehyde

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

5-Methoxy-2-nitrobenzaldehyde20357-24-866 % similar 4-Methoxy-2-nitrobenzaldehyde22996-21-066 % similar 3,5-Dinitrosalicylaldehyde2460-59-563 % similar 5-Nitrovanillin6635-20-761 % similar Dmnb20357-25-957 % similar 2-Hydroxy-3-nitrobenzaldehyde5274-70-455 % similar 4-Methoxy-2-nitrophenol1568-70-353 % similar 3,4-Dihydroxy-5-nitrobenzaldehyde116313-85-051 % 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 2-Hydroxy-3-methoxy-5-nitrobenzaldehyde17028-61-4 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

Elsewhere

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