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88408-83-7 | 1,3-Dioxolane, 2-[2-methyl-3-(phenylsulfonyl)propyl]-
CAS No: 88408-83-7 Catalog No: AG004F33 MDL No:
Product Description
Catalog Number:
AG004F33
Chemical Name:
1,3-Dioxolane, 2-[2-methyl-3-(phenylsulfonyl)propyl]-
CAS Number:
88408-83-7
Molecular Formula:
C13H18O4S
Molecular Weight:
270.3446
IUPAC Name:
2-[3-(benzenesulfonyl)-2-methylpropyl]-1,3-dioxolane
InChI:
InChI=1S/C13H18O4S/c1-11(9-13-16-7-8-17-13)10-18(14,15)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3
InChI Key:
FZVUQHICZSHHSJ-UHFFFAOYSA-N
SMILES:
CC(CS(=O)(=O)c1ccccc1)CC1OCCO1
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.093g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.343g/mol
Monoisotopic Mass:
270.093g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
61A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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