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CHEBI:49042 - 3-nitropropan-1-ol

ChEBI IDCHEBI:49042
ChEBI Name3-nitropropan-1-ol
Stars
DefinitionThe nitro compound formed from propan-1-ol by nitration at C-3.
Last Modified12 July 2012
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC3H7NO3
Net Charge0
Average Mass105.093
Monoisotopic Mass105.04259
SMILESO=[N+]([O-])CCCO
InChIInChI=1S/C3H7NO3/c5-3-1-2-4(6)7/h5H,1-3H2
InChIKeyYISPKQZWSIMXMX-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-nitropropan-1-ol (CHEBI:49042) has functional parent propan-1-ol (CHEBI:28831)
3-nitropropan-1-ol (CHEBI:49042) is a C-nitro compound (CHEBI:35716)
IUPAC Name 
3-nitropropan-1-ol
Synonyms  Source
3-nitro-1-propanolChemIDplus
3-nitropropanolChemIDplus
Registry NumbersSources
Beilstein:1746958Beilstein
CAS:25182-84-7ChemIDplus