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Home > Imidazoles > 120216-60-6
120216-60-6 | 4-(2-methyl-1H-imidazol-1-yl)-2-butanone
CAS No: 120216-60-6 Catalog No: AG008V3N MDL No:MFCD11190953
Product Description
Catalog Number:
AG008V3N
Chemical Name:
4-(2-methyl-1H-imidazol-1-yl)-2-butanone
CAS Number:
120216-60-6
Molecular Formula:
C8H12N2O
Molecular Weight:
152.1937
MDL Number:
MFCD11190953
IUPAC Name:
4-(2-methylimidazol-1-yl)butan-2-one
InChI:
InChI=1S/C8H12N2O/c1-7(11)3-5-10-6-4-9-8(10)2/h4,6H,3,5H2,1-2H3
InChI Key:
MRJRDSXSZGRGPA-UHFFFAOYSA-N
SMILES:
CC(=O)CCn1ccnc1C
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.095g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.197g/mol
Monoisotopic Mass:
152.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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