Isochromophilone I

Base Information

• Chemical Name: Isochromophilone I
• CAS No.: 154037-52-2
• Molecular Formula: C23H25 Cl O5
• Molecular Weight: 416.89
• Nikkaji Number: J1.012.671A,J1.012.675D
• Wikidata: Q105100618
• Mol file: 154037-52-2.mol

Synonyms:isochromophilone I;isochromophilone Ia;isochromophilone Ib

Chemical Property of Isochromophilone I

Chemical Property:

• Vapor Pressure: 1.37E-13mmHg at 25°C
• Boiling Point: 583.2°Cat760mmHg
• Flash Point: 204.7°C
• PSA: 69.67000
• Density: 1.25g/cm³
• LogP: 4.54550
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 416.1390516
• Heavy Atom Count: 29
• Complexity: 933

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C=C(C)C=CC1=CC2=C(C(=O)C3(C(C2=CO1)C(C(=O)O3)C(=O)C)C)Cl
• Isomeric SMILES: CC[C@H](C)/C=C(\C)/C=C/C1=CC2=C(C(=O)[C@]3([C@@H](C2=CO1)[C@@H](C(=O)O3)C(=O)C)C)Cl