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14938-42-2 | 1,8-Anthracenedisulfonic acid, 9,10-dihydro-9,10-dioxo-, potassium salt (1:2)
CAS No: 14938-42-2 Catalog No: AG001LMU MDL No:MFCD00053254
Product Description
Catalog Number:
AG001LMU
Chemical Name:
1,8-Anthracenedisulfonic acid, 9,10-dihydro-9,10-dioxo-, potassium salt (1:2)
CAS Number:
14938-42-2
Molecular Formula:
C14H6K2O8S2
Molecular Weight:
444.5192
MDL Number:
MFCD00053254
IUPAC Name:
dipotassium;9,10-dioxoanthracene-1,8-disulfonate
InChI:
InChI=1S/C14H8O8S2.2K/c15-13-7-3-1-5-9(23(17,18)19)11(7)14(16)12-8(13)4-2-6-10(12)24(20,21)22;;/h1-6H,(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2
InChI Key:
PWPFDCNGQQSVJK-UHFFFAOYSA-L
SMILES:
O=C1c2cccc(c2C(=O)c2c1cccc2S(=O)(=O)[O-])S(=O)(=O)[O-].[K+].[K+]
EC Number:
239-017-5
UNII:
248E1YC069
Properties
Complexity:
669
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
443.878g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
444.511g/mol
Monoisotopic Mass:
443.878g/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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