1,2,3,4-Tetrahydro-3,4-phenanthrenediol dibenzoate, trans-

Base Information

• Chemical Name: 1,2,3,4-Tetrahydro-3,4-phenanthrenediol dibenzoate, trans-
• CAS No.: 60967-95-5
• Molecular Formula: C28H22O4
• Molecular Weight: 422.4719
• DSSTox Substance ID: DTXSID00976438
• Wikidata: Q82961335

Synonyms:60967-95-5;1,2,3,4-Tetrahydro-3,4-phenanthrenediol dibenzoate, trans-;DTXSID00976438;3,4-Phenanthrenediol, 1,2,3,4-tetrahydro-, dibenzoate, trans-;1,2,3,4-Tetrahydrophenanthrene-3,4-diyl dibenzoate

Chemical Property of 1,2,3,4-Tetrahydro-3,4-phenanthrenediol dibenzoate, trans-

Chemical Property:

• Vapor Pressure: 5.14E-14mmHg at 25°C
• Boiling Point: 592.6°C at 760 mmHg
• Flash Point: 302.4°C
• Density: 1.28g/cm³
• XLogP3: 6.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 422.15180918
• Heavy Atom Count: 32
• Complexity: 648

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Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: C1CC2=C(C(C1OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)C5=CC=CC=C5C=C2
• Isomeric SMILES: C1CC2=C([C@@H]([C@H]1OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)C5=CC=CC=C5C=C2

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