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phenylacetonitrile

PropertiesImage
MNX_IDMNXM2709 Image of MNXM2709
referencechebi:25979
formulaC8H7N
global charge0
mol weight117.151
InChIKeySUSQOBVLVYHIEX-UHFFFAOYSA-N
InChIInChI=1S/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H2
SMILESN#CCC1=CC=CC=C1
MNX internals
InChI (mnx)InChI=1/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H2 Image of MNXM2709
SMILES (mnx)[CH:1]1=[CH:2][CH:4]=[C:8]([CH2:6][C:7]#[N:9])[CH:5]=[CH:3]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)12
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:25979
chebi:25979
SUSQOBVLVYHIEX-UHFFFAOYSA-N
phenylacetonitrile
(cyanomethyl)benzene
2-phenylacetonitrile
Benzyl cyanide
alpha-cyanotoluene
alpha-tolunitrile
benzeneacetonitrile
benzyl cyanide
benzyl nitrile
hmdb:HMDB0034171
SUSQOBVLVYHIEX-UHFFFAOYSA-N
Benzeneacetonitrile
(Cyanomethyl)benzene
.omega.-cyanotoluene
2-Phenylacetonitrile
2-phenylacetonitrile
Acetic acid, phenyl-nitrile
Benzeneacetonitrile, 9ci
Benzyl cyanide
Benzyl nitrile
Benzylkyanid
Benzylnitrile
Cyanophenylmethane
Enzylcyanide
Omega-cyanotoluene
Phenacetonitrile
Phenyl acetyl nitrile
Phenyl-acetonitrile
Phenylacetonitrile
Phenylacetonitrile, liquid
a-Cyanotoluene
a-Tolunitrile
alpha -Cyanotoluene
alpha -Tolunitrile
alpha-Cyanotoluene
alpha-Tolunitrile
alpha-cyano-Toluene
alpha-cyanotoluene
alpha-tolunitrile
laquo omegaraquo -Cyanotoluene
phenylacetonitrile

vmhM:bnzlcnd
vmhmetabolite:bnzlcnd
SUSQOBVLVYHIEX-UHFFFAOYSA-N
Benzyl cyanide
2-phenylacetonitrile

seed.compound:cpd14795
seedM:cpd14795
SUSQOBVLVYHIEX-UHFFFAOYSA-N
Benzyl cyanide
Phenylacetonitrile
phenylacetonitrile

envipath:...65b6f71eb574
envipathM:...65b6f71eb574
SUSQOBVLVYHIEX-UHFFFAOYSA-N
Phenylacetonitrile

kegg.compound:C16074
keggC:C16074
SUSQOBVLVYHIEX-UHFFFAOYSA-N
Phenylacetonitrile
Benzyl cyanide

sabiork.compound:20897
sabiorkM:20897
SUSQOBVLVYHIEX-UHFFFAOYSA-N
Z-Phenylacetonitrile
Phenylacetonitrile

metacyc.compound:PHENYLACETONITRILE
metacycM:PHENYLACETONITRILE
SUSQOBVLVYHIEX-UHFFFAOYSA-N
phenylacetonitrile

hmdb:HMDB34171
keggC:M_C16074
seedM:M_cpd14795
vmhM:M_bnzlcnd
secondary/obsolete/fantasy identifier