Pentanedioic acid, 2-isocyano-, 1-methyl 5-(phenylmethyl) ester

Base Information

• Chemical Name: Pentanedioic acid, 2-isocyano-, 1-methyl 5-(phenylmethyl) ester
• CAS No.: 730964-79-1
• Molecular Formula: C14H15NO4
• Molecular Weight: 261.27
• DSSTox Substance ID: DTXSID801173963
• Mol file: 730964-79-1.mol

Synonyms:DTXSID801173963;AKOS015959178;730964-79-1;Pentanedioic acid, 2-isocyano-, 1-methyl 5-(phenylmethyl) ester

Chemical Property of Pentanedioic acid, 2-isocyano-, 1-methyl 5-(phenylmethyl) ester

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 261.10010796
• Heavy Atom Count: 19
• Complexity: 352

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC(=O)C(CCC(=O)OCC1=CC=CC=C1)[N+]#[C-]