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Home > Imidazoles > 89175-24-6
89175-24-6 | 2-Butanone, 1-(1H-imidazol-1-yl)-3-methyl-
CAS No: 89175-24-6 Catalog No: AG00638D MDL No:MFCD21869335
Product Description
Catalog Number:
AG00638D
Chemical Name:
2-Butanone, 1-(1H-imidazol-1-yl)-3-methyl-
CAS Number:
89175-24-6
Molecular Formula:
C8H12N2O
Molecular Weight:
152.1937
MDL Number:
MFCD21869335
IUPAC Name:
1-imidazol-1-yl-3-methylbutan-2-one
InChI:
InChI=1S/C8H12N2O/c1-7(2)8(11)5-10-4-3-9-6-10/h3-4,6-7H,5H2,1-2H3
InChI Key:
SIIUTJNQOCSWNP-UHFFFAOYSA-N
SMILES:
O=C(C(C)C)Cn1cncc1
Properties
Complexity:
145
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:
0.9
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