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1300-37-4 | Benzenesulfonic acid, hydroxy-, barium salt (2:1)
CAS No: 1300-37-4 Catalog No: AG000TW0 MDL No:MFCD00068351
Product Description
Catalog Number:
AG000TW0
Chemical Name:
Benzenesulfonic acid, hydroxy-, barium salt (2:1)
CAS Number:
1300-37-4
Molecular Formula:
C12H10BaO8S2
Molecular Weight:
483.6600
MDL Number:
MFCD00068351
IUPAC Name:
barium(2+);2-hydroxybenzenesulfonate
InChI:
InChI=1S/2C6H6O4S.Ba/c2*7-5-3-1-2-4-6(5)11(8,9)10;/h2*1-4,7H,(H,8,9,10);/q;;+2/p-2
InChI Key:
SAMQGYDWPDZOHP-UHFFFAOYSA-L
SMILES:
Oc1ccccc1S(=O)(=O)[O-].Oc1ccccc1S(=O)(=O)[O-].[Ba+2]
EC Number:
215-084-6
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
483.887g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
483.651g/mol
Monoisotopic Mass:
483.887g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
172A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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