CHEBI:18898 - 1,2-dinitroglycerol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1,2-dinitroglycerol
ChEBI ID CHEBI:18898
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C3H6N2O7
Net Charge 0
Average Mass 182.08890
Monoisotopic Mass 182.018
InChI InChI=1S/C3H6N2O7/c6-1-3(12-5(9)10)2-11-4(7)8/h3,6H,1-2H2
InChIKey GFVHBTOOPNJKLV-UHFFFAOYSA-N
SMILES OCC(CO[N+]([O-])=O)O[N+]([O-])=O
ChEBI Ontology
Outgoing 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 Sources
1,2,3-Propanetriol, 1,2-dinitrate NIST Chemistry WebBook
1,2-Dinitroglycerin ChemIDplus
Glyceryl-1,2-dinitrate ChemIDplus
Manual Xref Database
c0062 UM-BBD
View more database links
Registry Numbers Types Sources
621-65-8 CAS Registry Number NIST Chemistry WebBook
621-65-8 CAS Registry Number ChemIDplus
621-65-8 CAS Registry Number UM-BBD
Last Modified
02 December 2009