Citaldoxime

Base Information

• Chemical Name: Citaldoxime
• CAS No.: 117091-61-9
• Molecular Formula: C13H15 N O3
• Molecular Weight: 233.2631
• Nikkaji Number: J350.590A
• Mol file: 117091-61-9.mol

Synonyms:Citaldoxime;117091-61-9;DIKOBVULVNJCCO-ZROIWOOFSA-;1-[4-(3-Methyl-2-butenyloxy)phenyl]-2-hydroxyiminoethanone;Benzeneacetaldehyde, 4-((3-methyl-2-butenyl)oxy)-alpha-oxo-, aldoxime, (Z)-;InChI=1/C13H15NO3/c1-10(2)7-8-17-12-5-3-11(4-6-12)13(15)9-14-16/h3-7,9,16H,8H2,1-2H3/b14-9-

Chemical Property of Citaldoxime

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 413.958°C at 760 mmHg
• Flash Point: 204.155°C
• Density: 1.073g/cm³
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 233.10519334
• Heavy Atom Count: 17
• Complexity: 298

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCOC1=CC=C(C=C1)C(=O)C=NO)C
• Isomeric SMILES: CC(=CCOC1=CC=C(C=C1)C(=O)/C=N\O)C