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123538-51-2 | 1,3-Dioxolane, 2,2-dimethyl-4-[(1Z)-2-(phenylsulfonyl)ethenyl]-, (4S)-
CAS No: 123538-51-2 Catalog No: AG000KRQ MDL No:
Product Description
Catalog Number:
AG000KRQ
Chemical Name:
1,3-Dioxolane, 2,2-dimethyl-4-[(1Z)-2-(phenylsulfonyl)ethenyl]-, (4S)-
CAS Number:
123538-51-2
Molecular Formula:
C13H16O4S
Molecular Weight:
268.3287
IUPAC Name:
4-[2-(benzenesulfonyl)ethenyl]-2,2-dimethyl-1,3-dioxolane
InChI:
InChI=1S/C13H16O4S/c1-13(2)16-10-11(17-13)8-9-18(14,15)12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3
InChI Key:
VOMDVACOOOINNW-UHFFFAOYSA-N
SMILES:
CC1(C)OC[C@@H](O1)/C=C\S(=O)(=O)c1ccccc1
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.077g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.327g/mol
Monoisotopic Mass:
268.077g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
1.5
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