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CHEBI:18898 - 1,2-dinitroglycerol

ChEBI IDCHEBI:18898
ChEBI Name1,2-dinitroglycerol
Stars
Last Modified24 May 2024
DownloadsMolfile
FormulaC3H6N2O7
Net Charge0
Average Mass182.088
Monoisotopic Mass182.01750
SMILESO=[N+]([O-])OCC(CO)O[N+](=O)[O-]
InChIInChI=1S/C3H6N2O7/c6-1-3(12-5(9)10)2-11-4(7)8/h3,6H,1-2H2
InChIKeyGFVHBTOOPNJKLV-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1,2-dinitroglycerol (CHEBI:18898) has functional parent glycerol (CHEBI:17754)
1,2-dinitroglycerol (CHEBI:18898) is a dinitroglycerol (CHEBI:23821)
1,2-dinitroglycerol (CHEBI:18898) is a primary alcohol (CHEBI:15734)
IUPAC Name 
3-hydroxypropane-1,2-diyl dinitrate
Synonyms  Source
Glyceryl-1,2-dinitrateChemIDplus
1,2-DinitroglycerinChemIDplus
1,2,3-Propanetriol, 1,2-dinitrateNIST Chemistry WebBook
UniProt Name  Source
1,2-dinitroglycerolUniProt
Manual XrefsDatabases
c0062UM-BBD
Registry NumbersSources
CAS:621-65-8UM-BBD
CAS:621-65-8ChemIDplus
CAS:621-65-8NIST Chemistry WebBook