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72139-09-4 | disodium [4-hydroxy-5-[(1,2,3,4-tetrahydro-2,4-dioxo-3-quinolyl)azo]benzene-1,3-disulphonato(4-)]cuprate(2-)
CAS No: 72139-09-4 Catalog No: AG00FPZW MDL No:
Product Description
Catalog Number:
AG00FPZW
Chemical Name:
disodium [4-hydroxy-5-[(1,2,3,4-tetrahydro-2,4-dioxo-3-quinolyl)azo]benzene-1,3-disulphonato(4-)]cuprate(2-)
CAS Number:
72139-09-4
IUPAC Name:
copper;disodium;4-hydroxy-5-[(4-hydroxy-2-oxo-1H-quinolin-3-yl)diazenyl]benzene-1,3-disulfonic acid
InChI:
InChI=1S/C15H11N3O9S2.Cu.2Na/c19-13-8-3-1-2-4-9(8)16-15(21)12(13)18-17-10-5-7(28(22,23)24)6-11(14(10)20)29(25,26)27;;;/h1-6,20H,(H2,16,19,21)(H,22,23,24)(H,25,26,27);;;/q;+2;2*+1
InChI Key:
JJCXHMKKLLBEHO-UHFFFAOYSA-N
EC Number:
276-365-7
Properties
Complexity:
939
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
549.903g/mol
Formal Charge:
4
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
550.911g/mol
Monoisotopic Mass:
549.903g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
220A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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