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127-83-3 | Benzenesulfonic acid, 4-hydroxy-, calcium salt (2:1)
CAS No: 127-83-3 Catalog No: AG000WJK MDL No:
Product Description
Catalog Number:
AG000WJK
Chemical Name:
Benzenesulfonic acid, 4-hydroxy-, calcium salt (2:1)
CAS Number:
127-83-3
Molecular Formula:
C12H10CaO8S2
Molecular Weight:
386.4110
IUPAC Name:
calcium;4-hydroxybenzenesulfonate
InChI:
InChI=1S/2C6H6O4S.Ca/c2*7-5-1-3-6(4-2-5)11(8,9)10;/h2*1-4,7H,(H,8,9,10);/q;;+2/p-2
InChI Key:
JVEDXKIOAFPPPG-UHFFFAOYSA-L
SMILES:
Oc1ccc(cc1)S(=O)(=O)[O-].Oc1ccc(cc1)S(=O)(=O)[O-].[Ca+2]
EC Number:
204-868-3
UNII:
199995D30M
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
385.944g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
386.402g/mol
Monoisotopic Mass:
385.944g/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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