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117036-93-8 | Carbonic acid, ethyl 2-[(phenylsulfonyl)methyl]-2-propen-1-yl ester
CAS No: 117036-93-8 Catalog No: AG000DM4 MDL No:
Product Description
Catalog Number:
AG000DM4
Chemical Name:
Carbonic acid, ethyl 2-[(phenylsulfonyl)methyl]-2-propen-1-yl ester
CAS Number:
117036-93-8
Molecular Formula:
C13H16O5S
Molecular Weight:
284.3281
IUPAC Name:
2-(benzenesulfonylmethyl)prop-2-enyl ethyl carbonate
InChI:
InChI=1S/C13H16O5S/c1-3-17-13(14)18-9-11(2)10-19(15,16)12-7-5-4-6-8-12/h4-8H,2-3,9-10H2,1H3
InChI Key:
PBCNRAXRWSXTOT-UHFFFAOYSA-N
SMILES:
CCOC(=O)OCC(=C)CS(=O)(=O)c1ccccc1
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.072g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.326g/mol
Monoisotopic Mass:
284.072g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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