DTXSID30863105

4-hydroxy-5-(2-hydroxy-4-methoxybenzoyl)-2-methoxybenzenesulfonic acid

CAS: 21927-94-6

Molecular Formula	`C15H14O8S`
Molecular Weight	354.3 g/mol
LogP	1.8
Topological Polar Surface Area	139.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	8
Rotatable Bonds	5
Exact Mass	354.04092
Heavy Atoms	24
Complexity	542.0

Chemical Identifiers

CAS Number	21927-94-6
SMILES	`COC1=CC(=C(C=C1)C(=O)C2=CC(=C(C=C2O)OC)S(=O)(=O)O)O`
InChIKey	`RPPHWBSWFASQRA-UHFFFAOYSA-N`

📖 Product Overview

DTXSID30863105 (CAS: 21927-94-6) is a chemical compound with molecular formula C15H14O8S and molecular weight 354.3 g/mol. Its IUPAC systematic name is 4-hydroxy-5-(2-hydroxy-4-methoxybenzoyl)-2-methoxybenzenesulfonic acid. LogP 1.8 Topological Polar Surface Area 139.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 8 Rotatable Bonds 5 Exact Mass 354.04092 Heavy Atoms 24 Complexity 542.0 InChI Key: RPPHWBSWFASQRA-UHFFFAOYSA-N. SMILES: COC1=CC(=C(C=C1)C(=O)C2=CC(=C(C=C2O)OC)S(=O)(=O)O)O.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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