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160567-00-0 | Ethanone, 2-(2-benzoyl-3-cycloocten-1-yl)-1-phenyl-
CAS No: 160567-00-0 Catalog No: AG001S1D MDL No:
Product Description
Catalog Number:
AG001S1D
Chemical Name:
Ethanone, 2-(2-benzoyl-3-cycloocten-1-yl)-1-phenyl-
CAS Number:
160567-00-0
Molecular Formula:
C23H24O2
Molecular Weight:
332.4355
IUPAC Name:
2-(2-benzoylcyclooct-3-en-1-yl)-1-phenylethanone
InChI:
InChI=1S/C23H24O2/c24-22(18-11-6-3-7-12-18)17-20-15-5-1-2-10-16-21(20)23(25)19-13-8-4-9-14-19/h3-4,6-14,16,20-21H,1-2,5,15,17H2
InChI Key:
FNNAGDBRNYPRST-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CC1CCCCC=CC1C(=O)c1ccccc1
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.178g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.443g/mol
Monoisotopic Mass:
332.178g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
5.6
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