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Home > Imidazoles > 1158291-39-4
1158291-39-4 | 1-(2-ethyl-1H-imidazol-1-yl)acetone hydrochloride
CAS No: 1158291-39-4 Catalog No: AG008WGJ MDL No:MFCD11696395
Product Description
Catalog Number:
AG008WGJ
Chemical Name:
1-(2-ethyl-1H-imidazol-1-yl)acetone hydrochloride
CAS Number:
1158291-39-4
Molecular Formula:
C8H13ClN2O
Molecular Weight:
188.6546
MDL Number:
MFCD11696395
IUPAC Name:
1-(2-ethylimidazol-1-yl)propan-2-one;hydrochloride
InChI:
InChI=1S/C8H12N2O.ClH/c1-3-8-9-4-5-10(8)6-7(2)11;/h4-5H,3,6H2,1-2H3;1H
InChI Key:
JXWLGVVOYMNISD-UHFFFAOYSA-N
SMILES:
CCc1nccn1CC(=O)C.Cl
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.072g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.655g/mol
Monoisotopic Mass:
188.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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