4-Cyano-4-deoxy-1-O,2-O-isopropylidene-D-erythritol

Base Information

• Chemical Name: 4-Cyano-4-deoxy-1-O,2-O-isopropylidene-D-erythritol
• CAS No.: 364042-57-9
• Molecular Formula: C₈H₁₃NO₃
• Molecular Weight: 171.196
• DSSTox Substance ID: DTXSID401190888
• Nikkaji Number: J1.632.915K
• Mol file: 364042-57-9.mol

Synonyms:DTXSID401190888;364042-57-9;4-Cyano-4-deoxy-1-O,2-O-isopropylidene-D-erythritol;2-Deoxy-4,5-O-(1-methylethylidene)-L-erythro-pentononitrile

Chemical Property of 4-Cyano-4-deoxy-1-O,2-O-isopropylidene-D-erythritol

Chemical Property:

• XLogP3: -0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 171.08954328
• Heavy Atom Count: 12
• Complexity: 206

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(OCC(O1)C(CC#N)O)C
• Isomeric SMILES: CC1(OC[C@H](O1)[C@@H](CC#N)O)C