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1-Methylimidazolium nitrate

CAT: 1552-IL-0264-SG-1000Size: 1000 gDry Ice: NoHazardous: No
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CAT#:1552-IL-0264-SG-1000Size:1000 g
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CAS Number
156204-43-2
Product Name Alternative
IoLiLyt 0264, 1000 g
Purity
98%
Molecular Formula
C4H7N3O3
Molecular Weight
145.12
IUPAC Name
1-Methylimidazolium nitrate

Chemical Information

1-Methylimidazolium nitrate
CAS Number156204-43-2
PubChem CID53360179
IUPAC Name3-methyl-1H-imidazol-3-ium nitrate
Molecular FormulaC4H7N3O3
Molecular Weight145.12
Topological Polar Surface Area82.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity63
SMILES
C[N+]1=CNC=C1.[N+](=O)([O-])[O-]
InChI
InChI=1S/C4H6N2.NO3/c1-6-3-2-5-4-6;2-1(3)4/h2-4H,1H3;/q;-1/p+1
InChIKey
XALWTPNRISPPIZ-UHFFFAOYSA-O
Chemical Structure
2D Structure
2D structure of 1-Methylimidazolium nitrate
CAS: 156204-43-2
CID: 53360179
Formula: C4H7N3O3
MW: 145.12
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight145.12
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass145.04874109
Monoisotopic Mass145.04874109
Topological Polar Surface Area82.6 Ų
Heavy Atom Count10
Formal Charge0
Complexity63.6
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes