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13736-22-6 | Benzenesulfonic acid, 4-formyl-, sodium salt (1:1)
CAS No: 13736-22-6 Catalog No: AG00136D MDL No:MFCD06657562
Product Description
Catalog Number:
AG00136D
Chemical Name:
Benzenesulfonic acid, 4-formyl-, sodium salt (1:1)
CAS Number:
13736-22-6
Molecular Formula:
C7H5NaO4S
Molecular Weight:
208.1670
MDL Number:
MFCD06657562
IUPAC Name:
sodium;4-formylbenzenesulfonate
InChI:
InChI=1S/C7H6O4S.Na/c8-5-6-1-3-7(4-2-6)12(9,10)11;/h1-5H,(H,9,10,11);/q;+1/p-1
InChI Key:
FZPPRCKGVCCJSG-UHFFFAOYSA-M
SMILES:
O=Cc1ccc(cc1)S(=O)(=O)[O-].[Na+]
EC Number:
237-309-7
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.981g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.163g/mol
Monoisotopic Mass:
207.981g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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