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89116-26-7 | Cyclopentanone, 3-(3,5-hexadienyl)-4,4-dimethyl-2-(phenylthio)-, trans-
CAS No: 89116-26-7 Catalog No: AG003Z5J MDL No:
Product Description
Catalog Number:
AG003Z5J
Chemical Name:
Cyclopentanone, 3-(3,5-hexadienyl)-4,4-dimethyl-2-(phenylthio)-, trans-
CAS Number:
89116-26-7
Molecular Formula:
C19H24OS
Molecular Weight:
300.4583
IUPAC Name:
3-hexa-3,5-dienyl-4,4-dimethyl-2-phenylsulfanylcyclopentan-1-one
InChI:
InChI=1S/C19H24OS/c1-4-5-6-10-13-16-18(17(20)14-19(16,2)3)21-15-11-8-7-9-12-15/h4-9,11-12,16,18H,1,10,13-14H2,2-3H3
InChI Key:
VQGISXRRVSVIDH-UHFFFAOYSA-N
SMILES:
C=CC=CCC[C@H]1[C@H](Sc2ccccc2)C(=O)CC1(C)C
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.155g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.46g/mol
Monoisotopic Mass:
300.155g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
5.6
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