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84100-73-2 | 2-Anthracenesulfonicacid, 4-amino-9,10-dihydro-1,3-dihydroxy-9,10-dioxo-, potassium salt (1:1)
CAS No: 84100-73-2 Catalog No: AG004PVU MDL No:
Product Description
Catalog Number:
AG004PVU
Chemical Name:
2-Anthracenesulfonicacid, 4-amino-9,10-dihydro-1,3-dihydroxy-9,10-dioxo-, potassium salt (1:1)
CAS Number:
84100-73-2
Molecular Formula:
C14H8KNO7S
Molecular Weight:
373.3791
IUPAC Name:
potassium;4-amino-1,3-dihydroxy-9,10-dioxoanthracene-2-sulfonate
InChI:
InChI=1S/C14H9NO7S.K/c15-9-7-8(12(18)14(13(9)19)23(20,21)22)11(17)6-4-2-1-3-5(6)10(7)16;/h1-4,18-19H,15H2,(H,20,21,22);/q;+1/p-1
InChI Key:
CGUUGSDXCLITKQ-UHFFFAOYSA-M
SMILES:
O=C1c2ccccc2C(=O)c2c1c(O)c(c(c2N)O)S(=O)(=O)[O-].[K+]
EC Number:
282-153-5
Properties
Complexity:
634
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.966g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
373.376g/mol
Monoisotopic Mass:
372.966g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
166A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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