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89328-76-7 | Cyclooctanone, 2-[3-(phenylsulfonyl)propyl]-
CAS No: 89328-76-7 Catalog No: AG003YEU MDL No:
Product Description
Catalog Number:
AG003YEU
Chemical Name:
Cyclooctanone, 2-[3-(phenylsulfonyl)propyl]-
CAS Number:
89328-76-7
Molecular Formula:
C17H24O3S
Molecular Weight:
308.4357
IUPAC Name:
2-[3-(benzenesulfonyl)propyl]cyclooctan-1-one
InChI:
InChI=1S/C17H24O3S/c18-17-13-7-2-1-4-9-15(17)10-8-14-21(19,20)16-11-5-3-6-12-16/h3,5-6,11-12,15H,1-2,4,7-10,13-14H2
InChI Key:
SRAMTSGSGOMSMQ-UHFFFAOYSA-N
SMILES:
O=C1CCCCCCC1CCCS(=O)(=O)c1ccccc1
Properties
Complexity:
416
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:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.436g/mol
Monoisotopic Mass:
308.145g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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