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123333-94-8 | Benzenesulfonic acid, 4-ethenyl-, sodium salt, hydrate (1:1:?)
CAS No: 123333-94-8 Catalog No: AG000KDI MDL No:MFCD03092905
Product Description
Catalog Number:
AG000KDI
Chemical Name:
Benzenesulfonic acid, 4-ethenyl-, sodium salt, hydrate (1:1:?)
CAS Number:
123333-94-8
Molecular Formula:
C8H9NaO4S
Molecular Weight:
224.2094
MDL Number:
MFCD03092905
IUPAC Name:
sodium;4-ethenylbenzenesulfonate;hydrate
InChI:
InChI=1S/C8H8O3S.Na.H2O/c1-2-7-3-5-8(6-4-7)12(9,10)11;;/h2-6H,1H2,(H,9,10,11);;1H2/q;+1;/p-1
InChI Key:
AATHLPHPRXGBAI-UHFFFAOYSA-M
SMILES:
C=Cc1ccc(cc1)S(=O)(=O)[O-].O.[Na+]
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.012g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.206g/mol
Monoisotopic Mass:
224.012g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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