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Home > Imidazoles > 20970-49-4
20970-49-4 | 1-(1-methyl-1H-imidazol-5-yl)ethan-1-one hydrochloride
CAS No: 20970-49-4 Catalog No: AG01BDOL MDL No:MFCD28023656
Product Description
Catalog Number:
AG01BDOL
Chemical Name:
1-(1-methyl-1H-imidazol-5-yl)ethan-1-one hydrochloride
CAS Number:
20970-49-4
Molecular Formula:
C6H9ClN2O
Molecular Weight:
160.6015
MDL Number:
MFCD28023656
IUPAC Name:
1-(3-methylimidazol-4-yl)ethanone;hydrochloride
InChI:
InChI=1S/C6H8N2O.ClH/c1-5(9)6-3-7-4-8(6)2;/h3-4H,1-2H3;1H
InChI Key:
IVHKNCBHCMVJMY-UHFFFAOYSA-N
SMILES:
CC(=O)c1cncn1C.Cl
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.04g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
160.601g/mol
Monoisotopic Mass:
160.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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