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Home > Imidazoles > 889062-62-8
889062-62-8 | 1H-Imidazolium, 1-methyl-3-(2-propenyl)-, formate
CAS No: 889062-62-8 Catalog No: AG0048WC MDL No:
Product Description
Catalog Number:
AG0048WC
Chemical Name:
1H-Imidazolium, 1-methyl-3-(2-propenyl)-, formate
CAS Number:
889062-62-8
Molecular Formula:
C8H14N2O2
Molecular Weight:
170.2090
IUPAC Name:
1-methyl-3-prop-2-enyl-1,2-dihydroimidazol-1-ium;formate
InChI:
InChI=1S/C7H12N2.CH2O2/c1-3-4-9-6-5-8(2)7-9;2-1-3/h3,5-6H,1,4,7H2,2H3;1H,(H,2,3)
InChI Key:
GEXHQKWVVSFJDK-UHFFFAOYSA-N
SMILES:
C[NH+]1CN(C=C1)CC=C.[O-]C=O
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.106g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.212g/mol
Monoisotopic Mass:
170.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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