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Home > Imidazoles > 88064-06-6
88064-06-6 | 2-Propen-1-one, 3-(1H-imidazol-1-yl)-1-(4-methylphenyl)-
CAS No: 88064-06-6 Catalog No: AG004FFO MDL No:
Product Description
Catalog Number:
AG004FFO
Chemical Name:
2-Propen-1-one, 3-(1H-imidazol-1-yl)-1-(4-methylphenyl)-
CAS Number:
88064-06-6
Molecular Formula:
C13H12N2O
Molecular Weight:
212.2472
IUPAC Name:
3-imidazol-1-yl-1-(4-methylphenyl)prop-2-en-1-one
InChI:
InChI=1S/C13H12N2O/c1-11-2-4-12(5-3-11)13(16)6-8-15-9-7-14-10-15/h2-10H,1H3
InChI Key:
HATXJCLBLXTEPR-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C(=O)C=Cn1cncc1
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.252g/mol
Monoisotopic Mass:
212.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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