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88068-29-5 | Cyclobutanol, 1-butyl-3-(phenylsulfonyl)-3-(2-propenyl)-
CAS No: 88068-29-5 Catalog No: AG004EXP MDL No:
Product Description
Catalog Number:
AG004EXP
Chemical Name:
Cyclobutanol, 1-butyl-3-(phenylsulfonyl)-3-(2-propenyl)-
CAS Number:
88068-29-5
Molecular Formula:
C17H24O3S
Molecular Weight:
308.4357
IUPAC Name:
3-(benzenesulfonyl)-1-butyl-3-prop-2-enylcyclobutan-1-ol
InChI:
InChI=1S/C17H24O3S/c1-3-5-12-16(18)13-17(14-16,11-4-2)21(19,20)15-9-7-6-8-10-15/h4,6-10,18H,2-3,5,11-14H2,1H3
InChI Key:
CPVXKMXLWRCDIA-UHFFFAOYSA-N
SMILES:
CCCCC1(O)CC(C1)(CC=C)S(=O)(=O)c1ccccc1
Properties
Complexity:
449
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:
1
Isotope Atom Count:
0
Molecular Weight:
308.436g/mol
Monoisotopic Mass:
308.145g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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