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729580-77-2 | Cyclohexanone, 3-(2-phenyl-1H-indol-3-yl)-
CAS No: 729580-77-2 Catalog No: AG005YSM MDL No:
Product Description
Catalog Number:
AG005YSM
Chemical Name:
Cyclohexanone, 3-(2-phenyl-1H-indol-3-yl)-
CAS Number:
729580-77-2
Molecular Formula:
C20H19NO
Molecular Weight:
289.3710
IUPAC Name:
3-(2-phenyl-1H-indol-3-yl)cyclohexan-1-one
InChI:
InChI=1S/C20H19NO/c22-16-10-6-9-15(13-16)19-17-11-4-5-12-18(17)21-20(19)14-7-2-1-3-8-14/h1-5,7-8,11-12,15,21H,6,9-10,13H2
InChI Key:
DPZPMTRHEVAEBW-UHFFFAOYSA-N
SMILES:
O=C1CCCC(C1)c1c([nH]c2c1cccc2)c1ccccc1
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.147g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.378g/mol
Monoisotopic Mass:
289.147g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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