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853-68-9

853-68-9 | Disodium Anthraquinone-2,6-disulfonate , 98%

CAS No: 853-68-9 Catalog No: AG003PRA MDL No:MFCD00001230

Product Description

Catalog Number:
AG003PRA
Chemical Name:
Disodium Anthraquinone-2,6-disulfonate , 98%
CAS Number:
853-68-9
Molecular Formula:
C14H6Na2O8S2
Molecular Weight:
412.3022
MDL Number:
MFCD00001230
IUPAC Name:
disodium;9,10-dioxoanthracene-2,6-disulfonate
InChI:
InChI=1S/C14H8O8S2.2Na/c15-13-9-3-1-7(23(17,18)19)5-11(9)14(16)10-4-2-8(6-12(10)13)24(20,21)22;;/h1-6H,(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2
InChI Key:
PKOVWEHDVFYKHL-UHFFFAOYSA-L
SMILES:
O=C1c2ccc(cc2C(=O)c2c1cc(cc2)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
EC Number:
212-719-9

Properties

Complexity:
665  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
411.93g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
412.294g/mol
Monoisotopic Mass:
411.93g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
165A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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