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Ethyl Nitrate

CAT: 1299-RG-E200886-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-E200886-02Size:25 mg
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CAS Number
625-58-1
Synonyms
Ethyl nitrate
Molecular Formula
C2H5NO3
Molecular Weight
91.07
Product Name Synonym
Ethyl nitrate

Chemical Information

Ethyl Nitrate

Ethyl nitrate appears as a clear colorless liquid with a pleasant odor. Prolonged exposure to fire or heat may cause vigorous decomposition and rupturing of the container. Denser than water and insoluble in water. Vapors are heavier than air. Produces toxic oxides of nitrogen during combustion.

CAS Number625-58-1
PubChem CID12259
IUPAC Nameethyl nitrate
Molecular FormulaC2H5NO3
Molecular Weight91.07
XLogP0.9
Topological Polar Surface Area55.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count6
Formal Charge0
Complexity47
SMILES
CCO[N+](=O)[O-]
InChI
InChI=1S/C2H5NO3/c1-2-6-3(4)5/h2H2,1H3
InChIKey
IDNUEBSJWINEMI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl Nitrate
CAS: 625-58-1
CID: 12259
Formula: C2H5NO3
MW: 91.07
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight91.07
XLogP30.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass91.026943022
Monoisotopic Mass91.026943022
Topological Polar Surface Area55.1 Ų
Heavy Atom Count6
Formal Charge0
Complexity47.2
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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