4-(Hydroxymethyl)benzonitrile

C₈H₇NOCAS 874-89-5133.15 g/mol

Open in Covalent MOL file

Alcohol Nitrile

Properties

Molecular formula: C₈H₇NO
Molar mass: 133.15 g/mol
Exact mass: 133.0528 Da
logP: 1.05Crippen estimate
Polar surface area: 44.0 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

874-89-5

SMILES

C1=CC(=CC=C1CO)C#N

InChIKey

XAASLEJRGFPHEV-UHFFFAOYSA-N

InChI

InChI=1S/C8H7NO/c9-5-7-1-3-8(6-10)4-2-7/h1-4,10H,6H2

Weigh it out

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

Names and synonyms

1 names

p-Cyanobenzyl alcohol

Work with 4-(Hydroxymethyl)benzonitrile

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

4,4'-(1-Methylene) bis-benzonitrile10466-37-265 % similar 4-(2-Hydroxyethyl)benzonitrile69395-13-764 % similar 1,4-Benzenedimethanol589-29-760 % similar 1,4-Dicyanobenzene623-26-760 % similar 4-Cyanobenzylamine10406-25-458 % similar 4-Cyanobenzyl bromide17201-43-358 % similar 4-Ethylbenzonitrile25309-65-358 % similar 4-Cyanobenzyl chloride874-86-258 % similar

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

Same formula

(+)-Mandelonitrile10020-96-9 5-Methylbenzoxazole10531-78-9 4-Hydroxybenzyl cyanide14191-95-8 3-Methoxybenzonitrile1527-89-5 5-Hydroxyindole1953-54-4 7-Hydroxyindole2380-84-9 6-Hydroxyindole2380-86-1 1H-Indol-4-ol2380-94-1

Elsewhere

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