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149099-23-0 | 1,3-Dioxolane, 2-ethoxy-2-[2-(phenylsulfonyl)ethyl]-
CAS No: 149099-23-0 Catalog No: AG001LE3 MDL No:MFCD00800561
Product Description
Catalog Number:
AG001LE3
Chemical Name:
1,3-Dioxolane, 2-ethoxy-2-[2-(phenylsulfonyl)ethyl]-
CAS Number:
149099-23-0
Molecular Formula:
C13H18O5S
Molecular Weight:
286.3440
MDL Number:
MFCD00800561
IUPAC Name:
2-[2-(benzenesulfonyl)ethyl]-2-ethoxy-1,3-dioxolane
InChI:
InChI=1S/C13H18O5S/c1-2-16-13(17-9-10-18-13)8-11-19(14,15)12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3
InChI Key:
IHHXOFVBODUGFT-UHFFFAOYSA-N
SMILES:
CCOC1(CCS(=O)(=O)c2ccccc2)OCCO1
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.087g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.342g/mol
Monoisotopic Mass:
286.087g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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