Benz(a)anthracene-1,2-diol, 1,2-dihydro-, diacetate, trans-

Base Information

• Chemical Name: Benz(a)anthracene-1,2-diol, 1,2-dihydro-, diacetate, trans-
• CAS No.: 60967-84-2
• Molecular Formula: C₂₂H₁₈O₄
• Molecular Weight: 346.383
• DSSTox Substance ID: DTXSID50209809
• Wikidata: Q83084260
• Mol file: 60967-84-2.mol

Synonyms:Benz(a)anthracene-1,2-diol, 1,2-dihydro-, diacetate, trans-;60967-84-2;1,2-Dihydrobenz(a)anthracene-1,2-diol diacetate, trans-;DTXSID50209809

Chemical Property of Benz(a)anthracene-1,2-diol, 1,2-dihydro-, diacetate, trans-

Chemical Property:

• Vapor Pressure: 4.97E-11mmHg at 25°C
• Boiling Point: 522.9°Cat760mmHg
• Flash Point: 268°C
• Density: 1.28g/cm³
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 346.12050905
• Heavy Atom Count: 26
• Complexity: 583

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1C=CC2=C(C1OC(=O)C)C3=CC4=CC=CC=C4C=C3C=C2
• Isomeric SMILES: CC(=O)O[C@H]1C=CC2=C([C@@H]1OC(=O)C)C3=CC4=CC=CC=C4C=C3C=C2