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226089-80-1 | 2-(2-((Phenylsulfonyl)methyl)phenyl)-1,3-dioxolane
CAS No: 226089-80-1 Catalog No: AG003EOX MDL No:MFCD06797156
Product Description
Catalog Number:
AG003EOX
Chemical Name:
2-(2-((Phenylsulfonyl)methyl)phenyl)-1,3-dioxolane
CAS Number:
226089-80-1
Molecular Formula:
C16H16O4S
Molecular Weight:
304.3608
MDL Number:
MFCD06797156
IUPAC Name:
2-[2-(benzenesulfonylmethyl)phenyl]-1,3-dioxolane
InChI:
InChI=1S/C16H16O4S/c17-21(18,14-7-2-1-3-8-14)12-13-6-4-5-9-15(13)16-19-10-11-20-16/h1-9,16H,10-12H2
InChI Key:
ANNWDOBNPSVXNI-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1ccccc1)Cc1ccccc1C1OCCO1
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.077g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.36g/mol
Monoisotopic Mass:
304.077g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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