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89363-79-1 | Cyclopentanone, 2-[4-[(2,5-dimethoxyphenyl)thio]butyl]-
CAS No: 89363-79-1 Catalog No: AG003X56 MDL No:
Product Description
Catalog Number:
AG003X56
Chemical Name:
Cyclopentanone, 2-[4-[(2,5-dimethoxyphenyl)thio]butyl]-
CAS Number:
89363-79-1
Molecular Formula:
C17H24O3S
Molecular Weight:
308.4357
IUPAC Name:
2-[4-(2,5-dimethoxyphenyl)sulfanylbutyl]cyclopentan-1-one
InChI:
InChI=1S/C17H24O3S/c1-19-14-9-10-16(20-2)17(12-14)21-11-4-3-6-13-7-5-8-15(13)18/h9-10,12-13H,3-8,11H2,1-2H3
InChI Key:
FFLSDXPKUFZQLM-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1SCCCCC1CCCC1=O)OC
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.145g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.436g/mol
Monoisotopic Mass:
308.145g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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