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88068-23-9 | Cyclobutanol, 1-butyl-3-octyl-3-(phenylsulfonyl)-
CAS No: 88068-23-9 Catalog No: AG004KR0 MDL No:
Product Description
Catalog Number:
AG004KR0
Chemical Name:
Cyclobutanol, 1-butyl-3-octyl-3-(phenylsulfonyl)-
CAS Number:
88068-23-9
Molecular Formula:
C22H36O3S
Molecular Weight:
380.5844
IUPAC Name:
3-(benzenesulfonyl)-1-butyl-3-octylcyclobutan-1-ol
InChI:
InChI=1S/C22H36O3S/c1-3-5-7-8-9-13-17-22(18-21(23,19-22)16-6-4-2)26(24,25)20-14-11-10-12-15-20/h10-12,14-15,23H,3-9,13,16-19H2,1-2H3
InChI Key:
LVPRBJQNADINMD-UHFFFAOYSA-N
SMILES:
CCCCCCCCC1(CC(C1)(O)CCCC)S(=O)(=O)c1ccccc1
Properties
Complexity:
494
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.239g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
380.587g/mol
Monoisotopic Mass:
380.239g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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