BENZOIC ACID, 3,5-DIHYDROXY-, ETHYL ESTER, HEMIHYDRATE

bis(ethyl 3,5-dihydroxybenzoate);hydrate

CAS: 205534-89-0

Molecular Formula	`C18H22O9`
Molecular Weight	382.4 g/mol
Topological Polar Surface Area	135.0 A2
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	9
Rotatable Bonds	6
Exact Mass	382.12637
Heavy Atoms	27
Complexity	170.0

Chemical Identifiers

CAS Number	205534-89-0
SMILES	`CCOC(=O)C1=CC(=CC(=C1)O)O.CCOC(=O)C1=CC(=CC(=C1)O)O.O`
InChIKey	`RHCLZNHHTZOSCV-UHFFFAOYSA-N`

📖 Product Overview

BENZOIC ACID, 3,5-DIHYDROXY-, ETHYL ESTER, HEMIHYDRATE (CAS: 205534-89-0) is a chemical compound with molecular formula C18H22O9 and molecular weight 382.4 g/mol. Its IUPAC systematic name is bis(ethyl 3,5-dihydroxybenzoate);hydrate. Topological Polar Surface Area 135.0 A2 Hydrogen Bond Donors 5 Hydrogen Bond Acceptors 9 Rotatable Bonds 6 Exact Mass 382.12637 Heavy Atoms 27 Complexity 170.0 InChI Key: RHCLZNHHTZOSCV-UHFFFAOYSA-N. SMILES: CCOC(=O)C1=CC(=CC(=C1)O)O.CCOC(=O)C1=CC(=CC(=C1)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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What documentation do you provide with the product?

We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.

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