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Reference substances

Reference substances

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General information

Inventory

EC number:
200-240-8
EC name:
Glycerol trinitrate
CAS number:
55-63-0

No inventory information available

Reference substance information

IUPAC name:
1,3-bis(nitrooxy)propan-2-yl nitrate
Synonyms
Names:
1,2,3-Propanetriol, trinitrate
Identifier:
CAS number
55-63-0
Identifier:
IUPAC name
Glycerol trinitrate
Identifier:
IUPAC name
propane-1,2,3-triyl trinitrate
Identifier:
common name
nitroglycerin
Identifier:
other: Molecular formula
C3H5N3O9
Identifier:
other: Molecular formula
C3H5N3O9 C3H5(NO3)3
Identifier:
other: Molecular formula
C3H5O9N3
Identifier:
other: InChl
InChI=1S/C3H5N3O9/c7-4(8)13-1-3(15-6(11)12)2-14-5(9)10/h3H,1-2H2 AuxInfo=1/0/N:5,6,1,13,10,7,14,15,11,12,8,9,4,3,2/E:(1,2)(4,5)(7,8,9,10)(11,12)(13,14)/CRV:4.5,5.5,6.5/rA:15COOOCCNOONOONOO/rB:s1;;;s1s4;s1s3;s2;d7;d7;s3;d10;d10;s4;d13;d13;/rC:5.328,-2.3216,0;5.328,-3.8836,0;2.6318,-2.3216,0;8.0122,-2.3216,0;6.6962,-1.5299,0;4.0335,-1.5299,0;3.9799,-4.6433,0;2.6533,-3.873,0;3.9799,-6.1839,0;1.3266,-1.5299,0;1.3266,0,0;0,-2.3109,0;9.3816,-1.562,0;10.6976,-2.3858,0;9.4031,-.0536,0;
Identifier:
other: SMILES notation
O=N(=O)OCC(CON(=O)=O)ON(=O)=O
propane-1,2,3-triyl trinitrate

CAS information

CAS number:
55-63-0

Related substances

Identifiers of related substances
Identifier:
CAS number
Identity:
55-63-0

Molecular and structural information

Molecular formula:
C3H5N3O9C3H5(NO3)3
Molecular weight:
227.087
SMILES notation:
[O-][N+](=O)OCC(CO[N+](=O)[O-])O[N+](=O)[O-]
InChl:
InChI=1/C3H5N3O9/c7-4(8)13-1-3(15-6(11)12)2-14-5(9)10/h3H,1-2H2
Structural formula:
Chemical structure