Cianidanol

Base Information

• Chemical Name: Cianidanol
• CAS No.: 100786-01-4
• Deprecated CAS: 16198-00-8,321-01-7,4211-28-3,5323-80-8,159761-73-6,29907-20-8,72690-97-2,159761-73-6,321-01-7,379227-23-3,4211-28-3,523994-21-0,5323-80-8
• Molecular Formula: C15H14O6
• Molecular Weight: 290.27
• European Community (EC) Number: 205-825-1
• NSC Number: 755824,2819
• UNII: 8R1V1STN48,5J4Y243W61
• DSSTox Substance ID: DTXSID3022322,DTXSID001349029
• Nikkaji Number: J9.391B
• Wikidata: Q415007
• NCI Thesaurus Code: C63654
• Metabolomics Workbench ID: 21831
• ChEMBL ID: CHEMBL311498
• Mol file: 100786-01-4.mol

Synonyms:(+)-Catechin;(+)-Cyanidanol;(+)-Cyanidanol-3;(-)-Epicatechin;(2R,3R)-2-(3,4-Dihydroxyphenyl)-3,5,7-chromanetriol;2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R-cis)-;3,3',4',5,7-Flavanpentol;Catechin;Catechinic Acid;Catechuic Acid;Catergen;Cianidanol;Cyanidanol 3;Cyanidanol-3;Epicatechin;KB 53;KB-53;KB53;Z 7300;Zyma

Chemical Property of Cianidanol

Chemical Property:

• Boiling Point: 630.4 °C at 760 mmHg
• Flash Point: 335 °C
• Density: 1.593 g/cm³
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 290.07903816
• Heavy Atom Count: 21
• Complexity: 364

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O
• Isomeric SMILES: C1[C@@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O