3,5-Dihydroxybenzonitrile

C₇H₅NO₂CAS 19179-36-3135.12 g/mol

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Properties

Molecular formula: C₇H₅NO₂
Molar mass: 135.12 g/mol
Exact mass: 135.0320 Da
logP: 0.97Crippen estimate
Polar surface area: 64.3 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 0

Identifiers

CAS number

19179-36-3

SMILES

N#Cc1cc(O)cc(O)c1

InChIKey

ABHOEQJNEOMTEK-UHFFFAOYSA-N

InChI

InChI=1S/C7H5NO2/c8-4-5-1-6(9)3-7(10)2-5/h1-3,9-10H

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Names and synonyms

3 names

Benzonitrile, 3,5-dihydroxy-
α-Resorcylonitrile
5-Cyanoresorcinol

Work with 3,5-Dihydroxybenzonitrile

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-Chloro-5-hydroxybenzonitrile473923-97-668 % similar 3-Cyanophenol873-62-163 % similar 4-Cyanophenol767-00-057 % similar Phloroglucinol108-73-650 % similar 4′-Cyano-4-hydroxybiphenyl19812-93-250 % similar 2,6-Difluoro-4-hydroxybenzonitrile123843-57-248 % similar Ioxynil1689-83-448 % similar Bromoxynil1689-84-548 % similar

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

Same formula

3,4-Dihydroxybenzonitrile17345-61-8 1,2-Benzisoxazol-3(2H)-one21725-69-9 2,6-Diformylpyridine5431-44-7 2(3H)-Benzoxazolone59-49-4

Elsewhere

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