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Isopropyl nitrate

CAT: 0024-sc-396806Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-396806Size:100 mg
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CAS Number
1712-64-7

Chemical Information

Isopropyl nitrate

Isopropyl nitrate appears as a clear colorless liquid with a pleasant odor. May spontaneously decompose and explode under prolonged exposure to fire or heat. Denser than water and insoluble in water. Vapors are heavier than air. Produces toxic oxides of nitrogen during combustion.

CAS Number1712-64-7
PubChem CID15575
IUPAC Namepropan-2-yl nitrate
Molecular FormulaC3H7NO3
Molecular Weight105.09
XLogP1.3
Topological Polar Surface Area55.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count7
Formal Charge0
Complexity65
SMILES
CC(C)O[N+](=O)[O-]
InChI
InChI=1S/C3H7NO3/c1-3(2)7-4(5)6/h3H,1-2H3
InChIKey
GAPFWGOSHOCNBM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isopropyl nitrate
CAS: 1712-64-7
CID: 15575
Formula: C3H7NO3
MW: 105.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight105.09
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass105.042593085
Monoisotopic Mass105.042593085
Topological Polar Surface Area55.1 Ų
Heavy Atom Count7
Formal Charge0
Complexity65.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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