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28712-12-1 | 1H-Imidazolium, 3-acetyl-1-methyl-, chloride (1:1)
CAS No: 28712-12-1 Catalog No: AG002W87 MDL No:
Product Description
Catalog Number:
AG002W87
Chemical Name:
1H-Imidazolium, 3-acetyl-1-methyl-, chloride (1:1)
CAS Number:
28712-12-1
Molecular Formula:
C6H11ClN2O
Molecular Weight:
162.6173
IUPAC Name:
1-(3-methyl-1,2-dihydroimidazol-1-ium-1-yl)ethanone;chloride
InChI:
InChI=1S/C6H10N2O.ClH/c1-6(9)8-4-3-7(2)5-8;/h3-4H,5H2,1-2H3;1H
InChI Key:
YETFLRLJMPFGHZ-UHFFFAOYSA-N
SMILES:
C[NH+]1C=CN(C1)C(=O)C.[Cl-]
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.056g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
162.617g/mol
Monoisotopic Mass:
162.056g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
24.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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