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2-phenylacetonitrile oxide

PropertiesImage
MNX_IDMNXM1106696 Image of MNXM1106696
referenceseedM:cpd23383
formulaC8H9NO2
global charge0
mol weight151.165
InChIKeyXAWCLWKTUKMCMO-UHFFFAOYSA-N
InChIInChI=1S/C8H9NO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2
SMILESO=[N+]([O-])CCC1=CC=CC=C1
MNX internals
InChI (mnx)InChI=1/C8H9NO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2 Image of MNXM1106696
SMILES (mnx)[CH:1]1=[CH:2][CH:4]=[C:8]([CH2:6][CH2:7][N+:9]([O-:10])=[O:11])[CH:5]=[CH:3]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

seed.compound:cpd23383
seedM:cpd23383
XAWCLWKTUKMCMO-UHFFFAOYSA-N
2-phenylacetonitrile oxide
1-aci-nitro-2-phenylethane
phenylacetonitrile oxide
hmdb:HMDB0303870
XAWCLWKTUKMCMO-UHFFFAOYSA-N
1-nitro-2-phenylethane
(2-nitroethyl)benzene
beta-nitroethyl benzene

seedM:M_cpd23383
secondary/obsolete/fantasy identifier