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Home > Imidazoles > 247174-71-6
247174-71-6 | 1-Propanone, 1-(1H-imidazol-5-yl)-2-methyl-
CAS No: 247174-71-6 Catalog No: AG002P6M MDL No:
Product Description
Catalog Number:
AG002P6M
Chemical Name:
1-Propanone, 1-(1H-imidazol-5-yl)-2-methyl-
CAS Number:
247174-71-6
Molecular Formula:
C7H10N2O
Molecular Weight:
138.1671
IUPAC Name:
1-(1H-imidazol-5-yl)-2-methylpropan-1-one
InChI:
InChI=1S/C7H10N2O/c1-5(2)7(10)6-3-8-4-9-6/h3-5H,1-2H3,(H,8,9)
InChI Key:
XFSKTPIUQZQHBU-UHFFFAOYSA-N
SMILES:
CC(C(=O)c1[nH]cnc1)C
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.079g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
138.17g/mol
Monoisotopic Mass:
138.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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