3-(1-hydroxy-9,10-dioxoanthracen-2-yl)oxypropane-1-sulfonic acid

CAS: 126590-66-7

Molecular Formula	`C17H14O7S`
Molecular Weight	362.4 g/mol
LogP	2.3
Topological Polar Surface Area	126.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	5
Exact Mass	362.04602
Heavy Atoms	25
Complexity	623.0

Chemical Identifiers

CAS Number	126590-66-7
SMILES	`C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)OCCCS(=O)(=O)O)O`
InChIKey	`OTHKCGPMOXFLDM-UHFFFAOYSA-N`

📖 Product Overview

3-(1-hydroxy-9,10-dioxoanthracen-2-yl)oxypropane-1-sulfonic acid (CAS: 126590-66-7) is a chemical compound with molecular formula C17H14O7S and molecular weight 362.4 g/mol. Its IUPAC systematic name is 3-(1-hydroxy-9,10-dioxoanthracen-2-yl)oxypropane-1-sulfonic acid. LogP 2.3 Topological Polar Surface Area 126.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 7 Rotatable Bonds 5 Exact Mass 362.04602 Heavy Atoms 25 Complexity 623.0 InChI Key: OTHKCGPMOXFLDM-UHFFFAOYSA-N. SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)OCCCS(=O)(=O)O)O.

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