(2R-trans)-3,4-Dihydro-2-(2-(4-nitrophenyl)-2-phenyl-1,3-benzodioxol-5-yl)-2H-1-benzopyran-3,5,7-triol

Base Information

• Chemical Name: (2R-trans)-3,4-Dihydro-2-(2-(4-nitrophenyl)-2-phenyl-1,3-benzodioxol-5-yl)-2H-1-benzopyran-3,5,7-triol
• CAS No.: 89329-12-4
• Molecular Formula: C28H21 N O8
• Molecular Weight: 499.46824
• European Community (EC) Number: 289-490-7
• DSSTox Substance ID: DTXSID20237619
• Nikkaji Number: J348.585D
• Mol file: 89329-12-4.mol

Synonyms:89329-12-4;EINECS 289-490-7;(2R-trans)-3,4-Dihydro-2-(2-(4-nitrophenyl)-2-phenyl-1,3-benzodioxol-5-yl)-2H-1-benzopyran-3,5,7-triol;DTXSID20237619;TZIOWTSBLLCTJO-QFIHXRDCSA-N;NS00039323

Chemical Property of (2R-trans)-3,4-Dihydro-2-(2-(4-nitrophenyl)-2-phenyl-1,3-benzodioxol-5-yl)-2H-1-benzopyran-3,5,7-triol

Chemical Property:

• Vapor Pressure: 2.14E-23mmHg at 25°C
• Boiling Point: 746.3°C at 760 mmHg
• Flash Point: 405.2°C
• PSA: 134.20000
• Density: 1.49g/cm³
• LogP: 5.23880
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 499.12671663
• Heavy Atom Count: 37
• Complexity: 809

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC4=C(C=C3)OC(O4)(C5=CC=CC=C5)C6=CC=C(C=C6)[N+](=O)[O-])O
• Isomeric SMILES: C1[C@@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC4=C(C=C3)OC(O4)(C5=CC=CC=C5)C6=CC=C(C=C6)[N+](=O)[O-])O

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