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Home > Imidazoles > 753009-14-2
753009-14-2 | 1H-Imidazolium, 1-(2-hydroxypropyl)-3-methyl-, nitrate
CAS No: 753009-14-2 Catalog No: AG008QJB MDL No:
Product Description
Catalog Number:
AG008QJB
Chemical Name:
1H-Imidazolium, 1-(2-hydroxypropyl)-3-methyl-, nitrate
CAS Number:
753009-14-2
Molecular Formula:
C7H15N3O4
Molecular Weight:
205.2117
IUPAC Name:
1-(3-methyl-1,2-dihydroimidazol-1-ium-1-yl)propan-2-ol;nitrate
InChI:
InChI=1S/C7H14N2O.NO3/c1-7(10)5-9-4-3-8(2)6-9;2-1(3)4/h3-4,7,10H,5-6H2,1-2H3;/q;-1/p+1
InChI Key:
ZWUDECVWBISACM-UHFFFAOYSA-O
SMILES:
CC(C[NH+]1C=CN(C1)C)O.[O-][N+](=O)[O-]
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.106g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
205.214g/mol
Monoisotopic Mass:
205.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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