Physodic acid structure

Physodic acid

3,9-dihydroxy-6-oxo-7-(2-oxoheptyl)-1-pentylbenzo[b][1,4]benzodioxepine-2-carboxylic acid

CAS: 84-24-2
Molecular Formula C26H30O8
Molecular Weight 470.5 g/mol
LogP 6.3
Topological Polar Surface Area 130.0 A2
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 8
Rotatable Bonds 11
Exact Mass 470.19406
Heavy Atoms 34
Complexity 709.0

Chemical Identifiers

CAS Number 84-24-2
SMILES CCCCCC1=C(C(=CC2=C1OC3=CC(=CC(=C3C(=O)O2)CC(=O)CCCCC)O)O)C(=O)O
InChIKey KVTYWHGIZSCFLG-UHFFFAOYSA-N

📖 Product Overview

Physodic acid (CAS: 84-24-2) is a chemical compound with molecular formula C26H30O8 and molecular weight 470.5 g/mol. Its IUPAC systematic name is 3,9-dihydroxy-6-oxo-7-(2-oxoheptyl)-1-pentylbenzo[b][1,4]benzodioxepine-2-carboxylic acid. LogP 6.3 Topological Polar Surface Area 130.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 8 Rotatable Bonds 11 Exact Mass 470.19406 Heavy Atoms 34 Complexity 709.0 InChI Key: KVTYWHGIZSCFLG-UHFFFAOYSA-N. SMILES: CCCCCC1=C(C(=CC2=C1OC3=CC(=CC(=C3C(=O)O2)CC(=O)CCCCC)O)O)C(=O)O.

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