(E)-2,3-dideuterio-1,3-bis(2,3,4,5,6-pentadeuteriophenyl)prop-2-en-1-one

Base Information

• Chemical Name: (E)-2,3-dideuterio-1,3-bis(2,3,4,5,6-pentadeuteriophenyl)prop-2-en-1-one
• CAS No.: 307496-21-5
• Molecular Formula: C15D12 O
• Molecular Weight: 209.261341778
• DSSTox Substance ID: DTXSID80584111
• Mol file: 307496-21-5.mol

Synonyms:307496-21-5;(E)-2,3-dideuterio-1,3-bis(2,3,4,5,6-pentadeuteriophenyl)prop-2-en-1-one;DTXSID80584111;trans-Chalcone-d12,98 atom % d;(2E)-1,3-Bis[(~2~H_5_)phenyl](~2~H_2_)prop-2-en-1-one

Chemical Property of (E)-2,3-dideuterio-1,3-bis(2,3,4,5,6-pentadeuteriophenyl)prop-2-en-1-one

Chemical Property:

• Melting Point: 55-57 °C(lit.)
• Boiling Point: 208 °C25 mm Hg(lit.)
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 220.164135953
• Heavy Atom Count: 16
• Complexity: 242

Purity/Quality:

TRANS-CHALCONE-D12 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C=CC(=O)C2=CC=CC=C2
• Isomeric SMILES: [2H]C1=C(C(=C(C(=C1[2H])[2H])/C(=C(\[2H])/C(=O)C2=C(C(=C(C(=C2[2H])[2H])[2H])[2H])[2H])/[2H])[2H])[2H]