chempirical

4-Hydroxybenzylidenemalononitrile

C10H6N2OCAS 3785-90-8170.17 g/mol

Open in Covalent MOL file
NNOH
AlkeneNitrilePhenol

Properties

Molecular formula
C10H6N2O
Molar mass
170.17 g/mol
Exact mass
170.0480 Da
Melting point
196 °C
logP
1.82Crippen estimate
Polar surface area
67.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
3785-90-8
SMILES
N#CC(C#N)=Cc1ccc(O)cc1
InChIKey
FNCOVSWSZZVFBQ-UHFFFAOYSA-N
InChI
InChI=1S/C10H6N2O/c11-6-9(7-12)5-8-1-3-10(13)4-2-8/h1-5,13H

Weigh it out

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

Names and synonyms

14 names · show all
  • Propanedinitrile, 2-[(4-hydroxyphenyl)methylene]-
  • Propanedinitrile, [(4-hydroxyphenyl)methylene]-
  • Malononitrile, (p-hydroxybenzylidene)-
  • 2-[(4-Hydroxyphenyl)methylene]propanedinitrile
  • p-Hydroxybenzylidenemalononitrile
  • Tyrphostin 8
  • Tyrphostin A 8
  • [(4-Hydroxyphenyl)methylene]propanedinitrile
  • NSC 1345
  • 2-[(4-Hydroxyphenyl)methylene]malononitrile
  • 2-(4-Hydroxybenzylidene)malononitrile
  • Tyrphostin AG 10
  • AG 10
  • 2-[(4-Hydroxyphenyl)methylidene]propanedinitrile

Work with 4-Hydroxybenzylidenemalononitrile

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

Benzylidenemalononitrile2700-22-363 % similar Tyrphostin 23118409-57-759 % similar α-Cyano-4-hydroxycinnamic acid28166-41-857 % similar N-[4-(2,2-Dicyanoethenyl)phenyl]acetamide26088-79-953 % similar Tyrphostin ag 126118409-62-446 % similar Sf-684710537-47-045 % similar trans-4-Hydroxystilbene6554-98-943 % similar 4-Hydroxybenzaldehyde123-08-040 % similar

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

Same formula

3-Formyl-1H-indole-5-carbonitrile17380-18-6

Elsewhere

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