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Home > Imidazoles > 31964-03-1
31964-03-1 | 1-(2-METHYL-1H-IMIDAZOL-1-YL)ACETONE
CAS No: 31964-03-1 Catalog No: AG007I3Z MDL No:MFCD09971284
Product Description
Catalog Number:
AG007I3Z
Chemical Name:
1-(2-METHYL-1H-IMIDAZOL-1-YL)ACETONE
CAS Number:
31964-03-1
Molecular Formula:
C7H10N2O
Molecular Weight:
138.1671
MDL Number:
MFCD09971284
IUPAC Name:
1-(2-methylimidazol-1-yl)propan-2-one
InChI:
InChI=1S/C7H10N2O/c1-6(10)5-9-4-3-8-7(9)2/h3-4H,5H2,1-2H3
InChI Key:
UYYVOWAZMOPUPM-UHFFFAOYSA-N
SMILES:
CC(=O)Cn1ccnc1C
Properties
Complexity:
136
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:
0
Isotope Atom Count:
0
Molecular Weight:
138.17g/mol
Monoisotopic Mass:
138.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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