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2039-45-4

2039-45-4 | Ethenesulfonic acid, 2-phenyl-

CAS No: 2039-45-4 Catalog No: AG00296M MDL No:

Product Description

Catalog Number:
AG00296M
Chemical Name:
Ethenesulfonic acid, 2-phenyl-
CAS Number:
2039-45-4
Molecular Formula:
C8H8O3S
Molecular Weight:
184.2123
IUPAC Name:
2-phenylethenesulfonic acid
InChI:
InChI=1S/C8H8O3S/c9-12(10,11)7-6-8-4-2-1-3-5-8/h1-7H,(H,9,10,11)
InChI Key:
AGBXYHCHUYARJY-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)C=Cc1ccccc1

Properties

Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.019g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
184.209g/mol
Monoisotopic Mass:
184.019g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
1.1  

Literature

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