MXN

(2R)-hydroxy(phenyl)ethanenitrile

Created:2009-02-26
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count17
Chiral Atom Count1
Bond Count17
Aromatic Bond Count6
2D diagram of MXN

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Chemical Component Summary

Name(2R)-hydroxy(phenyl)ethanenitrile
Synonyms(R)-mandelonitrile
Systematic Name (OpenEye OEToolkits)(2R)-2-hydroxy-2-phenyl-ethanenitrile
FormulaC8 H7 N O
Molecular Weight133.147
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04N#CC(O)c1ccccc1
SMILESCACTVS3.341O[CH](C#N)c1ccccc1
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)C(C#N)O
Canonical SMILESCACTVS3.341 O[C@@H](C#N)c1ccccc1
Canonical SMILESOpenEye OEToolkits1.5.0 c1ccc(cc1)[C@H](C#N)O
InChIInChI1.03 InChI=1S/C8H7NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H/t8-/m0/s1
InChIKeyInChI1.03 NNICRUQPODTGRU-QMMMGPOBSA-N

Related Resource References

Resource NameReference
PubChem 9548674
ChEBI CHEBI:18450
CCDC/CSD RUMFOV, XEGJUQ