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305808-14-4 | Benzenesulfonic acid, 2-formyl-, sodium salt, hydrate (1:1:1)
CAS No: 305808-14-4 Catalog No: AG0030KQ MDL No:MFCD00149533
Product Description
Catalog Number:
AG0030KQ
Chemical Name:
Benzenesulfonic acid, 2-formyl-, sodium salt, hydrate (1:1:1)
CAS Number:
305808-14-4
Molecular Formula:
C7H7NaO5S
Molecular Weight:
226.1823
MDL Number:
MFCD00149533
IUPAC Name:
sodium;2-formylbenzenesulfonate;hydrate
InChI:
InChI=1S/C7H6O4S.Na.H2O/c8-5-6-3-1-2-4-7(6)12(9,10)11;;/h1-5H,(H,9,10,11);;1H2/q;+1;/p-1
InChI Key:
MGFBXWRKSPLCAK-UHFFFAOYSA-M
SMILES:
O=Cc1ccccc1S(=O)(=O)[O-].O.[Na+]
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.991g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.178g/mol
Monoisotopic Mass:
225.991g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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