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25932-11-0 | Benzenesulfinic acid, sodium salt, hydrate (1:1:2)
CAS No: 25932-11-0 Catalog No: AG002R3U MDL No:MFCD00149638
Product Description
Catalog Number:
AG002R3U
Chemical Name:
Benzenesulfinic acid, sodium salt, hydrate (1:1:2)
CAS Number:
25932-11-0
Molecular Formula:
C6H9NaO4S
Molecular Weight:
200.1880
MDL Number:
MFCD00149638
IUPAC Name:
sodium;benzenesulfinate;dihydrate
InChI:
InChI=1S/C6H6O2S.Na.2H2O/c7-9(8)6-4-2-1-3-5-6;;;/h1-5H,(H,7,8);;2*1H2/q;+1;;/p-1
InChI Key:
MYXJYAIKMQJHIB-UHFFFAOYSA-M
SMILES:
[O-]S(=O)c1ccccc1.O.O.[Na+]
Properties
Complexity:
112
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.012g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
200.184g/mol
Monoisotopic Mass:
200.012g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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