((7-Carboxy-4-formyl-3,8-dihydroxy-1,6-dimethyl-11-oxo-11H-dibenzo(b,e)(1,4)dioxepin-9-yl)methyl) hydrogen fumarate

Base Information

• Chemical Name: ((7-Carboxy-4-formyl-3,8-dihydroxy-1,6-dimethyl-11-oxo-11H-dibenzo(b,e)(1,4)dioxepin-9-yl)methyl) hydrogen fumarate
• CAS No.: 489-50-9
• Molecular Formula: C22H16O12
• Molecular Weight: 472.362
• Wikidata: Q105284569
• Mol file: 489-50-9.mol

Synonyms:5VJ6J3A960;EINECS 207-698-8;NSC 249984;NSC 685588;Spectrum2_000387;Spectrum3_000709;Spectrum4_001920;KBioGR_002547;UNII-5VJ6J3A960;SPBio_000573;KBio3_001717;((7-Carboxy-4-formyl-3,8-dihydroxy-1,6-dimethyl-11-oxo-11H-dibenzo(b,e)(1,4)dioxepin-9-yl)methyl) hydrogen fumarate;FT-0772770

Chemical Property of ((7-Carboxy-4-formyl-3,8-dihydroxy-1,6-dimethyl-11-oxo-11H-dibenzo(b,e)(1,4)dioxepin-9-yl)methyl) hydrogen fumarate

Chemical Property:

• Vapor Pressure: 2.06E-27mmHg at 25°C
• Melting Point: 250～260℃
• Boiling Point: 805.7°Cat760mmHg
• PKA: 2.12±0.20(Predicted)
• Flash Point: 282.5°C
• PSA: 193.96000
• Density: 1.628g/cm³
• LogP: 2.23420
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 7
• Exact Mass: 472.06417594
• Heavy Atom Count: 34
• Complexity: 868

Purity/Quality:

99%, ^*data from raw suppliers

Fumarprotocetraric acid phyproof? Reference Substance ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=C(C(=C3COC(=O)C=CC(=O)O)O)C(=O)O)C)C=O)O
• Uses: antibacterial