chempirical

(αS)-α-Hydroxy-3-phenoxybenzeneacetonitrile

C14H11NO2CAS 61826-76-4225.25 g/mol

Open in Covalent MOL file
NHOO
AlcoholNitrile

Properties

Molecular formula
C14H11NO2
Molar mass
225.25 g/mol
Exact mass
225.0790 Da
logP
3.04Crippen estimate
Polar surface area
53.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Identifiers

CAS number
61826-76-4
SMILES
N#C[C@@H](O)c1cccc(Oc2ccccc2)c1
InChIKey
GXUQMKBQDGPMKZ-CQSZACIVSA-N
InChI
InChI=1S/C14H11NO2/c15-10-14(16)11-5-4-8-13(9-11)17-12-6-2-1-3-7-12/h1-9,14,16H/t14-/m1/s1

Weigh it out

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

Names and synonyms

8 names
  • Benzeneacetonitrile, α-hydroxy-3-phenoxy-, (αS)-
  • Benzeneacetonitrile, α-hydroxy-3-phenoxy-, (S)-
  • (S)-(-)-α-Cyano-3-phenoxybenzyl alcohol
  • (S)-α-Cyano-3-phenoxybenzyl alcohol
  • (S)-α-Cyano-m-phenoxybenzyl alcohol
  • S-3-Phenoxy benzaldehyde cyanohydrin
  • 3-Phenoxybenzaldehyde (S)-cyanohydrin
  • (S)-2-Hydroxy-2-(3-phenoxyphenyl)acetonitrile

Work with (αS)-α-Hydroxy-3-phenoxybenzeneacetonitrile

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

Elsewhere

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