DTXSID60274386

7-[2-[4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid

CAS: 57968-81-7

Molecular Formula	`C22H29ClO6`
Molecular Weight	424.9 g/mol
LogP	2.7
Topological Polar Surface Area	107.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	6
Rotatable Bonds	11
Exact Mass	424.16525
Heavy Atoms	29
Complexity	551.0

Chemical Identifiers

CAS Number	57968-81-7
SMILES	`C1C(C(C(C1O)C=CC(COC2=CC(=CC=C2)Cl)O)CC=CCCCC(=O)O)O`
InChIKey	`VJGGHXVGBSZVMZ-UHFFFAOYSA-N`

📖 Product Overview

DTXSID60274386 (CAS: 57968-81-7) is a chemical compound with molecular formula C22H29ClO6 and molecular weight 424.9 g/mol. Its IUPAC systematic name is 7-[2-[4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid. LogP 2.7 Topological Polar Surface Area 107.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 6 Rotatable Bonds 11 Exact Mass 424.16525 Heavy Atoms 29 Complexity 551.0 InChI Key: VJGGHXVGBSZVMZ-UHFFFAOYSA-N. SMILES: C1C(C(C(C1O)C=CC(COC2=CC(=CC=C2)Cl)O)CC=CCCCC(=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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