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2039-44-3 | Ethenesulfonic acid, 2-phenyl-, sodium salt (1:1)
CAS No: 2039-44-3 Catalog No: AG00296N MDL No:MFCD00053626
Product Description
Catalog Number:
AG00296N
Chemical Name:
Ethenesulfonic acid, 2-phenyl-, sodium salt (1:1)
CAS Number:
2039-44-3
Molecular Formula:
C8H7NaO3S
Molecular Weight:
206.1942
MDL Number:
MFCD00053626
IUPAC Name:
sodium;(E)-2-phenylethenesulfonate
InChI:
InChI=1S/C8H8O3S.Na/c9-12(10,11)7-6-8-4-2-1-3-5-8;/h1-7H,(H,9,10,11);/q;+1/p-1/b7-6+;
InChI Key:
MNCGMVDMOKPCSQ-UHDJGPCESA-M
SMILES:
[O-]S(=O)(=O)C=Cc1ccccc1.[Na+]
EC Number:
218-013-7
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
206.001g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.191g/mol
Monoisotopic Mass:
206.001g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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