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131394-02-0 | 2-Propanone, 1-(1H-imidazol-1-yl)- (9CI)
CAS No: 131394-02-0 Catalog No: AG009DXQ MDL No:MFCD09971255
Product Description
Catalog Number:
AG009DXQ
Chemical Name:
2-Propanone, 1-(1H-imidazol-1-yl)- (9CI)
CAS Number:
131394-02-0
Molecular Formula:
C6H8N2O
Molecular Weight:
124.1405
MDL Number:
MFCD09971255
IUPAC Name:
1-imidazol-1-ylpropan-2-one
InChI:
InChI=1S/C6H8N2O/c1-6(9)4-8-3-2-7-5-8/h2-3,5H,4H2,1H3
InChI Key:
FFNGQLCLQRIGDW-UHFFFAOYSA-N
SMILES:
CC(=O)Cn1cncc1
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.064g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
124.143g/mol
Monoisotopic Mass:
124.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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