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88068-18-2 | Cyclobutanol, 1-ethyl-3-methyl-3-(phenylsulfonyl)-
CAS No: 88068-18-2 Catalog No: AG004EXQ MDL No:
Product Description
Catalog Number:
AG004EXQ
Chemical Name:
Cyclobutanol, 1-ethyl-3-methyl-3-(phenylsulfonyl)-
CAS Number:
88068-18-2
Molecular Formula:
C13H18O3S
Molecular Weight:
254.3452
IUPAC Name:
3-(benzenesulfonyl)-1-ethyl-3-methylcyclobutan-1-ol
InChI:
InChI=1S/C13H18O3S/c1-3-13(14)9-12(2,10-13)17(15,16)11-7-5-4-6-8-11/h4-8,14H,3,9-10H2,1-2H3
InChI Key:
RUUXDFBKLMNCOI-UHFFFAOYSA-N
SMILES:
CCC1(O)CC(C1)(C)S(=O)(=O)c1ccccc1
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.098g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.344g/mol
Monoisotopic Mass:
254.098g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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