Mandelonitrile

C₈H₇NOCAS 532-28-5133.15 g/mol

Open in Covalent MOL file

Alcohol Nitrile

Properties

Molecular formula: C₈H₇NO
Molar mass: 133.15 g/mol
Exact mass: 133.0528 Da
Melting point: −10 °C
Boiling point: 98–102 °C (at NaN Torr)
logP: 1.24Crippen estimate
Polar surface area: 44.0 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Identifiers

CAS number

532-28-5

SMILES

N#CC(O)c1ccccc1

InChIKey

NNICRUQPODTGRU-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

14 names · show all

Benzeneacetonitrile, α-hydroxy-
α-Hydroxybenzeneacetonitrile
Phenylglycolonitrile
Mandelic acid nitrile
α-Cyanobenzyl alcohol
Benzaldehyde, cyanohydrin
α-Hydroxyphenylacetonitrile
2-Hydroxy-2-phenylacetonitrile
Dl-Mandelonitrile
(±)-Mandelonitrile
(±)-α-Mandelonitrile
NSC 77668
α-Hydroxybenzyl cyanide
Alpha-hydroxy phenylacetonitrile

Work with Mandelonitrile

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

(αS)-α-Hydroxy-3-phenoxybenzeneacetonitrile61826-76-461 % similar α-Ethynylbenzenemethanol4187-87-558 % similar 2-Phenylpropionitrile1823-91-248 % similar Rel-(1R,2S)-1,2-diphenyl-1,2-ethanediol579-43-146 % similar Diphenylmethanol91-01-046 % similar α-Phenyl-2-pyridineacetonitrile5005-36-744 % similar α-Aminophenylacetonitrile hydrochloride53641-60-443 % similar 1-Phenylethanol13323-81-441 % 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 6-Hydroxyindole2380-86-1 1H-Indol-4-ol2380-94-1 Benzyl isocyanate3173-56-6

Elsewhere

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