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Home Other Building Blocks 2-Propen-1-one, 1-(1H-imidazol-1-yl)-3-phenyl-, (2E)-

2-Propen-1-one, 1-(1H-imidazol-1-yl)-3-phenyl-, (2E)-

CAS No.:
1138-15-4
Catalog Number:
AG0009PO
Molecular Formula:
C12H10N2O
Molecular Weight:
198.2206
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Product Description
Catalog Number:
AG0009PO
Chemical Name:
2-Propen-1-one, 1-(1H-imidazol-1-yl)-3-phenyl-, (2E)-
CAS Number:
1138-15-4
Molecular Formula:
C12H10N2O
Molecular Weight:
198.2206
MDL Number:
MFCD00005288
IUPAC Name:
(E)-1-imidazol-1-yl-3-phenylprop-2-en-1-one
InChI:
InChI=1S/C12H10N2O/c15-12(14-9-8-13-10-14)7-6-11-4-2-1-3-5-11/h1-10H/b7-6+
InChI Key:
XVGXMXZUJNAGFZ-VOTSOKGWSA-N
SMILES:
O=C(n1cncc1)/C=C/c1ccccc1
Properties
Complexity:
244  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
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:
2  
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
The reaction of serpins with proteinases involves important enthalpy changes. Biochemistry 20010821
Properties