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1-nitropropane

PropertiesImage
MNX_IDMNXM32892 Image of MNXM32892
referencechebi:76261
formulaC3H7NO2
global charge0
mol weight89.094
InChIKeyJSZOAYXJRCEYSX-UHFFFAOYSA-N
InChIInChI=1S/C3H7NO2/c1-2-3-4(5)6/h2-3H2,1H3
SMILESCCC[N+](=O)[O-]
MNX internals
InChI (mnx)InChI=1/C3H7NO2/c1-2-3-4(5)6/h2-3H2,1H3 Image of MNXM32892
SMILES (mnx)[CH3:1][CH2:2][CH2:3][N+:4]([O-:5])=[O:6]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:76261
chebi:76261
JSZOAYXJRCEYSX-UHFFFAOYSA-N 		1-nitropropane
3-nitropropane
nitropropane

sabiork.compound:23734
sabiorkM:23734
JSZOAYXJRCEYSX-UHFFFAOYSA-N 		1-Nitropropane
hmdb:HMDB0243966
JSZOAYXJRCEYSX-UHFFFAOYSA-N 		1-Nitropropane
1-nitropropane
3-Nitropropane
Nitropropane

metacyc.compound:CPD-8127
metacycM:CPD-8127
seed.compound:cpd25051
seedM:cpd25051
JSZOAYXJRCEYSX-UHFFFAOYSA-N 		1-nitropropane

seedM:M_cpd25051 		secondary/obsolete/fantasy identifier