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2-Anthraceneacetic acid, 9,10-dihydro-4,5-dihydroxy-3-(1-hydroxy-3-oxo-1-pentenyl)-9,10-dioxo-

Base Information
  • Chemical Name:2-Anthraceneacetic acid, 9,10-dihydro-4,5-dihydroxy-3-(1-hydroxy-3-oxo-1-pentenyl)-9,10-dioxo-
  • CAS No.:91432-47-2
  • Molecular Formula:C21H16 O8
  • Molecular Weight:396.35
  • Hs Code.:
  • Metabolomics Workbench ID:98401
  • Nikkaji Number:J93.397J
  • Mol file:91432-47-2.mol
2-Anthraceneacetic acid, 9,10-dihydro-4,5-dihydroxy-3-(1-hydroxy-3-oxo-1-pentenyl)-9,10-dioxo-

Synonyms:aklanonic acid

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Chemical Property of 2-Anthraceneacetic acid, 9,10-dihydro-4,5-dihydroxy-3-(1-hydroxy-3-oxo-1-pentenyl)-9,10-dioxo-
Chemical Property:
  • Vapor Pressure:4.35E-23mmHg at 25°C 
  • Melting Point:203-204 °C (decomp) 
  • Boiling Point:741.5°Cat760mmHg 
  • PKA:3.86±0.10(Predicted) 
  • Flash Point:416.2°C 
  • PSA:146.04000 
  • Density:1.552g/cm3 
  • LogP:2.05220 
  • XLogP3:2.7
  • Hydrogen Bond Donor Count:4
  • Hydrogen Bond Acceptor Count:8
  • Rotatable Bond Count:5
  • Exact Mass:396.08451746
  • Heavy Atom Count:29
  • Complexity:741
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MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CCC(=O)C=C(C1=C(C2=C(C=C1CC(=O)O)C(=O)C3=C(C2=O)C(=CC=C3)O)O)O
  • Isomeric SMILES:CCC(=O)/C=C(/C1=C(C2=C(C=C1CC(=O)O)C(=O)C3=C(C2=O)C(=CC=C3)O)O)\O
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