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13719-31-8 | Ethenesulfonic acid, 2-phenyl-, phenyl ester
CAS No: 13719-31-8 Catalog No: AG0012XD MDL No:
Product Description
Catalog Number:
AG0012XD
Chemical Name:
Ethenesulfonic acid, 2-phenyl-, phenyl ester
CAS Number:
13719-31-8
Molecular Formula:
C14H12O3S
Molecular Weight:
260.3083
IUPAC Name:
phenyl 1-phenylethenesulfonate
InChI:
InChI=1S/C14H12O3S/c1-12(13-8-4-2-5-9-13)18(15,16)17-14-10-6-3-7-11-14/h2-11H,1H2
InChI Key:
MKSPOZXKBFUOII-UHFFFAOYSA-N
SMILES:
O=S(=O)(Oc1ccccc1)C=Cc1ccccc1
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.051g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.307g/mol
Monoisotopic Mass:
260.051g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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