Methyl brevifolincarboxylate

Base Information

• Chemical Name: Methyl brevifolincarboxylate
• CAS No.: 154702-76-8
• Molecular Formula: C14H10 O8
• Molecular Weight: 306.22
• DSSTox Substance ID: DTXSID20935047
• Nikkaji Number: J2.263.464J
• Wikidata: Q27135333
• Metabolomics Workbench ID: 64770
• ChEMBL ID: CHEMBL567076
• Mol file: 154702-76-8.mol

Synonyms:methyl brevifolincarboxylate

Chemical Property of Methyl brevifolincarboxylate

Chemical Property:

• Vapor Pressure: 1.15E-16mmHg at 25°C
• Boiling Point: 633.9°Cat760mmHg
• Flash Point: 245.9°C
• PSA: 134.27000
• Density: 1.78g/cm³
• LogP: 0.75280
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 306.03756727
• Heavy Atom Count: 22
• Complexity: 579

Purity/Quality:

97% ^*data from raw suppliers

Methylbrevifolincarboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1CC(=O)C2=C1C3=C(C(=C(C=C3C(=O)O2)O)O)O

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