N-[(5S)-5-methyl-4-oxo-1,3-dioxan-5-yl]benzamide

Base Information

• Chemical Name: N-[(5S)-5-methyl-4-oxo-1,3-dioxan-5-yl]benzamide
• CAS No.: 51127-21-0
• Molecular Formula: C12H13NO4
• Molecular Weight: 235.2359
• DSSTox Substance ID: DTXSID00965408
• Wikidata: Q82947596
• Mol file: 51127-21-0.mol

Synonyms:N-[(5S)-5-methyl-4-oxo-1,3-dioxan-5-yl]benzamide;DTXSID00965408;51127-21-0;N-(5-Methyl-4-oxo-1,3-dioxan-5-yl)benzenecarboximidic acid

Chemical Property of N-[(5S)-5-methyl-4-oxo-1,3-dioxan-5-yl]benzamide

Chemical Property:

• Vapor Pressure: 6.25E-10mmHg at 25°C
• Melting Point: 154-159oC
• Boiling Point: 494.8°Cat760mmHg
• Flash Point: 253°C
• PSA: 64.63000
• Density: 1.27g/cm³
• LogP: 1.09690
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 235.08445790
• Heavy Atom Count: 17
• Complexity: 312

Purity/Quality:

99% ^*data from raw suppliers

DL-5-BENZOYLAMINO-5-METHYL-4-OXO-1,3-DIOXANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(COCOC1=O)NC(=O)C2=CC=CC=C2
• Isomeric SMILES: C[C@@]1(COCOC1=O)NC(=O)C2=CC=CC=C2

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