DTXSID30909976

[1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] acetate

CAS: 54984-93-9

Molecular Formula	`C18H18O6`
Molecular Weight	330.3 g/mol
LogP	3.5
Topological Polar Surface Area	101.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	5
Exact Mass	330.11035
Heavy Atoms	24
Complexity	599.0

Chemical Identifiers

CAS Number	54984-93-9
SMILES	`CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)OC(=O)C)C`
InChIKey	`WNFXUXZJJKTDOZ-UHFFFAOYSA-N`

📖 Product Overview

DTXSID30909976 (CAS: 54984-93-9) is a chemical compound with molecular formula C18H18O6 and molecular weight 330.3 g/mol. Its IUPAC systematic name is [1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] acetate. LogP 3.5 Topological Polar Surface Area 101.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 6 Rotatable Bonds 5 Exact Mass 330.11035 Heavy Atoms 24 Complexity 599.0 InChI Key: WNFXUXZJJKTDOZ-UHFFFAOYSA-N. SMILES: CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)OC(=O)C)C.

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

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