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Home > Imidazoles > 89367-31-7
89367-31-7 | 1H-Imidazole, 1-acetyl-4,5-dihydro-2-phenyl-
CAS No: 89367-31-7 Catalog No: AG003YWB MDL No:
Product Description
Catalog Number:
AG003YWB
Chemical Name:
1H-Imidazole, 1-acetyl-4,5-dihydro-2-phenyl-
CAS Number:
89367-31-7
Molecular Formula:
C11H12N2O
Molecular Weight:
188.2258
IUPAC Name:
1-(2-phenyl-4,5-dihydroimidazol-1-yl)ethanone
InChI:
InChI=1S/C11H12N2O/c1-9(14)13-8-7-12-11(13)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChI Key:
ROWISTPLSYWXIG-UHFFFAOYSA-N
SMILES:
CC(=O)N1CCN=C1c1ccccc1
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.23g/mol
Monoisotopic Mass:
188.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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