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Home > Imidazoles > 889062-63-9
889062-63-9 | 1H-Imidazolium, 1-methyl-3-propyl-, formate
CAS No: 889062-63-9 Catalog No: AG0048WB MDL No:
Product Description
Catalog Number:
AG0048WB
Chemical Name:
1H-Imidazolium, 1-methyl-3-propyl-, formate
CAS Number:
889062-63-9
Molecular Formula:
C8H16N2O2
Molecular Weight:
172.2248
IUPAC Name:
1-methyl-3-propyl-1,2-dihydroimidazol-1-ium;formate
InChI:
InChI=1S/C7H14N2.CH2O2/c1-3-4-9-6-5-8(2)7-9;2-1-3/h5-6H,3-4,7H2,1-2H3;1H,(H,2,3)
InChI Key:
YDBNSLFFQRUYHX-UHFFFAOYSA-N
SMILES:
CCCN1C=C[NH+](C1)C.[O-]C=O
Properties
Complexity:
117
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.121g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.228g/mol
Monoisotopic Mass:
172.121g/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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