DTXSID10859869

2-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]-5-methylbenzenesulfonic acid

CAS: 3443-92-3

Molecular Formula	`C21H15NO6S`
Molecular Weight	409.4 g/mol
LogP	4.3
Topological Polar Surface Area	129.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	7
Rotatable Bonds	3
Exact Mass	409.062
Heavy Atoms	29
Complexity	762.0

Chemical Identifiers

CAS Number	3443-92-3
SMILES	`CC1=CC(=C(C=C1)NC2=C3C(=C(C=C2)O)C(=O)C4=CC=CC=C4C3=O)S(=O)(=O)O`
InChIKey	`XXQVCGHGQCAKKA-UHFFFAOYSA-N`

📖 Product Overview

DTXSID10859869 (CAS: 3443-92-3) is a chemical compound with molecular formula C21H15NO6S and molecular weight 409.4 g/mol. Its IUPAC systematic name is 2-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]-5-methylbenzenesulfonic acid. LogP 4.3 Topological Polar Surface Area 129.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 7 Rotatable Bonds 3 Exact Mass 409.062 Heavy Atoms 29 Complexity 762.0 InChI Key: XXQVCGHGQCAKKA-UHFFFAOYSA-N. SMILES: CC1=CC(=C(C=C1)NC2=C3C(=C(C=C2)O)C(=O)C4=CC=CC=C4C3=O)S(=O)(=O)O.

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