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168213-46-5 | 2-Cyclopenten-1-one, 2,2'-(1,4-phenylene)bis[3-butyl-
CAS No: 168213-46-5 Catalog No: AG001XWZ MDL No:
Product Description
Catalog Number:
AG001XWZ
Chemical Name:
2-Cyclopenten-1-one, 2,2'-(1,4-phenylene)bis[3-butyl-
CAS Number:
168213-46-5
Molecular Formula:
C24H30O2
Molecular Weight:
350.4938
IUPAC Name:
3-butyl-2-[4-(2-butyl-5-oxocyclopenten-1-yl)phenyl]cyclopent-2-en-1-one
InChI:
InChI=1S/C24H30O2/c1-3-5-7-17-13-15-21(25)23(17)19-9-11-20(12-10-19)24-18(8-6-4-2)14-16-22(24)26/h9-12H,3-8,13-16H2,1-2H3
InChI Key:
BGRFYYBMJIDASL-UHFFFAOYSA-N
SMILES:
CCCCC1=C(C(=O)CC1)c1ccc(cc1)C1=C(CCCC)CCC1=O
Properties
Complexity:
546
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.225g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.502g/mol
Monoisotopic Mass:
350.225g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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