Nandinin

Base Information

• Chemical Name: Nandinin
• CAS No.: 91919-94-7
• Molecular Formula: C23H23NO10
• Molecular Weight: 473.4294
• Wikidata: Q105199478

Synonyms:Nandinin;91919-94-7;C23H23NO10;C23-H23-N-O10;2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, 4'-ester with 4-(beta-D-glucopyranosyloxy)-alpha-hydroxybenzeneacetonitrile;Benzeneacetonitrile, 4-((4-O-(3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)-beta-D-glucopyranosyl)oxy)-alpha-hydroxy-

Chemical Property of Nandinin

Chemical Property:

• Vapor Pressure: 1.2E-27mmHg at 25°C
• Boiling Point: 809°Cat760mmHg
• Flash Point: 443.1°C
• Density: 1.58g/cm³
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 8
• Exact Mass: 473.13219593
• Heavy Atom Count: 34
• Complexity: 745

Purity/Quality:

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(C#N)O)OC2C(C(C(C(O2)CO)OC(=O)C=CC3=CC(=C(C=C3)O)O)O)O
• Isomeric SMILES: C1=CC(=CC=C1C(C#N)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)O)O

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