Isochromophilone II

Base Information

• Chemical Name: Isochromophilone II
• CAS No.: 154170-71-5
• Molecular Formula: C22H27 Cl O4
• Molecular Weight: 390.9
• Nikkaji Number: J1.012.673H
• Wikidata: Q77424460
• Metabolomics Workbench ID: 110561
• Mol file: 154170-71-5.mol

Synonyms:isochromophilone II;isochromophilone IIa;isochromophilone IIb

Chemical Property of Isochromophilone II

Chemical Property:

• Vapor Pressure: 1.79E-13mmHg at 25°C
• Boiling Point: 530.6°Cat760mmHg
• Flash Point: 274.7°C
• PSA: 63.60000
• Density: 1.18g/cm³
• LogP: 4.75490
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 390.1597870
• Heavy Atom Count: 27
• Complexity: 797

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C=C(C)C=CC1=CC2=C(C(=O)C(C(C2=CO1)CC(=O)C)(C)O)Cl
• Isomeric SMILES: CC[C@H](C)/C=C(\C)/C=C/C1=CC2=C(C(=O)[C@]([C@@H](C2=CO1)CC(=O)C)(C)O)Cl

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