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83763-46-6 | 1,7-Naphthalenedisulfonicacid, 2-amino-5-hydroxy-, calcium salt (1:1)
CAS No: 83763-46-6 Catalog No: AG004SP5 MDL No:
Product Description
Catalog Number:
AG004SP5
Chemical Name:
1,7-Naphthalenedisulfonicacid, 2-amino-5-hydroxy-, calcium salt (1:1)
CAS Number:
83763-46-6
Molecular Formula:
C10H7CaNO7S2
Molecular Weight:
357.3731
IUPAC Name:
calcium;2-amino-5-hydroxynaphthalene-1,7-disulfonate
InChI:
InChI=1S/C10H9NO7S2.Ca/c11-8-2-1-6-7(10(8)20(16,17)18)3-5(4-9(6)12)19(13,14)15;/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18);/q;+2/p-2
InChI Key:
AZDYEJCAXVRIQN-UHFFFAOYSA-L
SMILES:
Oc1cc(cc2c1ccc(c2S(=O)(=O)[O-])N)S(=O)(=O)[O-].[Ca+2]
EC Number:
280-732-7
Properties
Complexity:
535
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.929g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
357.364g/mol
Monoisotopic Mass:
356.929g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
177A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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