Isonitrinic acid E

Base Information

• Chemical Name: Isonitrinic acid E
• CAS No.: 83016-51-7
• Molecular Formula: C9H7 N O3
• Molecular Weight: 0
• Nikkaji Number: J2.369.624J
• Mol file: 83016-51-7.mol

Synonyms:Isonitrinic acid E;(+)-3-(4-Isocyano-6-oxabicyclo(3.1.0)hex-3-en-1-yl)-2-propenoic acid;2-Propenoic acid, 3-(4-isocyano-6-oxabicyclo(3.1.0)hex-3-en-1-yl)-, (+)-;83016-51-7;AKOS006279011;LS-123666

Chemical Property of Isonitrinic acid E

Chemical Property:

• XLogP3: -0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 177.042593085
• Heavy Atom Count: 13
• Complexity: 374

Purity/Quality:

99%min ^*data from raw suppliers

(+)-3-(4-ISOCYANO-6-OXABICYCLO(3.1.0)HEX-3-EN-1-YL)-2-PROPENOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: [C-]#[N+]C1=CCC2(C1O2)C=CC(=O)O
• Isomeric SMILES: [C-]#[N+]C1=CCC2(C1O2)/C=C/C(=O)O