(2R-trans)-3,4-Dihydro-2-spiro(1,3-benzodioxole-2,9'-(9H)fluoren)-5-yl-2H-1-benzopyran-3,5,7-triol

Base Information

• Chemical Name: (2R-trans)-3,4-Dihydro-2-spiro(1,3-benzodioxole-2,9'-(9H)fluoren)-5-yl-2H-1-benzopyran-3,5,7-triol
• CAS No.: 89329-10-2
• Molecular Formula: C28H20O6
• Molecular Weight: 452.4548
• European Community (EC) Number: 289-488-6
• DSSTox Substance ID: DTXSID201008752
• Nikkaji Number: J348.583H
• Wikidata: Q83005316
• Mol file: 89329-10-2.mol

Synonyms:89329-10-2;EINECS 289-488-6;(2R-trans)-3,4-Dihydro-2-spiro(1,3-benzodioxole-2,9'-(9H)fluoren)-5-yl-2H-1-benzopyran-3,5,7-triol;ZOSNYNDCXWZWPF-WNCULLNHSA-N;DTXSID201008752;NS00064893;2-(Spiro[1,3-benzodioxole-2,9'-fluoren]-5-yl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

Chemical Property of (2R-trans)-3,4-Dihydro-2-spiro(1,3-benzodioxole-2,9'-(9H)fluoren)-5-yl-2H-1-benzopyran-3,5,7-triol

Chemical Property:

• PSA: 88.38000
• LogP: 4.78780
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 452.12598835
• Heavy Atom Count: 34
• Complexity: 737

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC4=C(C=C3)OC5(O4)C6=CC=CC=C6C7=CC=CC=C57)O
• Isomeric SMILES: C1[C@@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC4=C(C=C3)OC5(O4)C6=CC=CC=C6C7=CC=CC=C57)O