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Home > Imidazoles > 870262-26-3
870262-26-3 | 1H-Imidazole, 1-(1,4-dioxo-4-phenylbutyl)-
CAS No: 870262-26-3 Catalog No: AG004GNF MDL No:
Product Description
Catalog Number:
AG004GNF
Chemical Name:
1H-Imidazole, 1-(1,4-dioxo-4-phenylbutyl)-
CAS Number:
870262-26-3
Molecular Formula:
C13H12N2O2
Molecular Weight:
228.2466
IUPAC Name:
1-imidazol-1-yl-4-phenylbutane-1,4-dione
InChI:
InChI=1S/C13H12N2O2/c16-12(11-4-2-1-3-5-11)6-7-13(17)15-9-8-14-10-15/h1-5,8-10H,6-7H2
InChI Key:
QMYSCIIYUXADGP-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CCC(=O)n1cncc1
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.251g/mol
Monoisotopic Mass:
228.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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