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91164-83-9 | 2-Propen-1-one, 3-(1H-imidazol-1-yl)-1-phenyl-, (E)-
CAS No: 91164-83-9 Catalog No: AG006QBL MDL No:
Product Description
Catalog Number:
AG006QBL
Chemical Name:
2-Propen-1-one, 3-(1H-imidazol-1-yl)-1-phenyl-, (E)-
CAS Number:
91164-83-9
Molecular Formula:
C12H10N2O
Molecular Weight:
198.2206
IUPAC Name:
3-imidazol-1-yl-1-phenylprop-2-en-1-one
InChI:
InChI=1S/C12H10N2O/c15-12(11-4-2-1-3-5-11)6-8-14-9-7-13-10-14/h1-10H
InChI Key:
XUEDKGRNRHTVOD-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)/C=C/n1cncc1
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.225g/mol
Monoisotopic Mass:
198.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
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