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18791-01-0 | 2-Anthracenesulfonic acid, 1-amino-4-[(4-amino-2-sulfophenyl)amino]-9,10-dihydro-9,10-dioxo-
CAS No: 18791-01-0 Catalog No: AG002GKZ MDL No:
Product Description
Catalog Number:
AG002GKZ
Chemical Name:
2-Anthracenesulfonic acid, 1-amino-4-[(4-amino-2-sulfophenyl)amino]-9,10-dihydro-9,10-dioxo-
CAS Number:
18791-01-0
Molecular Formula:
C20H15N3O8S2
Molecular Weight:
489.4784
IUPAC Name:
1-amino-4-(4-amino-2-sulfoanilino)-9,10-dioxoanthracene-2-sulfonic acid
InChI:
InChI=1S/C20H15N3O8S2/c21-9-5-6-12(14(7-9)32(26,27)28)23-13-8-15(33(29,30)31)18(22)17-16(13)19(24)10-3-1-2-4-11(10)20(17)25/h1-8,23H,21-22H2,(H,26,27,28)(H,29,30,31)
InChI Key:
TUYZCJKTGCNVOA-UHFFFAOYSA-N
SMILES:
Nc1ccc(c(c1)S(=O)(=O)O)Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)O
EC Number:
242-574-7
Properties
Complexity:
1010
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
489.03g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
489.473g/mol
Monoisotopic Mass:
489.03g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
224A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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