N-[4-Oxo-5-(propan-2-yl)-1,3-dioxan-5-yl]benzenecarboximidic acid

Base Information

• Chemical Name: N-[4-Oxo-5-(propan-2-yl)-1,3-dioxan-5-yl]benzenecarboximidic acid
• CAS No.: 51127-25-4
• Molecular Formula: C₁₄H₁₇NO₄
• Molecular Weight: 263.293
• DSSTox Substance ID: DTXSID60965409
• Wikidata: Q82947597
• Mol file: 51127-25-4.mol

Synonyms:DTXSID60965409;N-[4-Oxo-5-(propan-2-yl)-1,3-dioxan-5-yl]benzenecarboximidic acid;51127-25-4

Chemical Property of N-[4-Oxo-5-(propan-2-yl)-1,3-dioxan-5-yl]benzenecarboximidic acid

Chemical Property:

• Vapor Pressure: 6.05E-10mmHg at 25°C
• Melting Point: 161-162oC
• Refractive Index: 1.5300 (estimate)
• Boiling Point: 495.2°Cat760mmHg
• Flash Point: 253.3°C
• PSA: 64.63000
• Density: 1.2g/cm³
• LogP: 1.73300
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 263.11575802
• Heavy Atom Count: 19
• Complexity: 349

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1(COCOC1=O)NC(=O)C2=CC=CC=C2
• Isomeric SMILES: CC(C)[C@@]1(COCOC1=O)NC(=O)C2=CC=CC=C2