(1S,12R,13S,17S)-15,18-dioxapentacyclo[10.5.1.02,11.04,9.013,17]octadeca-2,4,6,8,10-pentaen-14-one

Base Information

• Chemical Name: (1S,12R,13S,17S)-15,18-dioxapentacyclo[10.5.1.02,11.04,9.013,17]octadeca-2,4,6,8,10-pentaen-14-one
• CAS No.: 85827-98-1
• Molecular Formula: C16H12O3
• Molecular Weight: 252.26
• NSC Number: 374495
• DSSTox Substance ID: DTXSID10321394
• Wikidata: Q82079280
• Mol file: 85827-98-1.mol

Synonyms:NSC374495;85827-98-1;DTXSID10321394;NSC-374495

Chemical Property of (1S,12R,13S,17S)-15,18-dioxapentacyclo[10.5.1.02,11.04,9.013,17]octadeca-2,4,6,8,10-pentaen-14-one

Chemical Property:

• Vapor Pressure: 1.78E-10mmHg at 25°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 252.078644241
• Heavy Atom Count: 19
• Complexity: 420

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C2C(C3C4=CC5=CC=CC=C5C=C4C2O3)C(=O)O1
• Isomeric SMILES: C1[C@@H]2[C@@H]([C@@H]3C4=CC5=CC=CC=C5C=C4[C@H]2O3)C(=O)O1