2,3,4-Trimethoxy-5,7,8,9-tetrahydro-6H-benzocyclohepten-6-one oxime

Base Information

• Chemical Name: 2,3,4-Trimethoxy-5,7,8,9-tetrahydro-6H-benzocyclohepten-6-one oxime
• CAS No.: 50823-55-7
• Molecular Formula: C₁₄H₁₉NO₄
• Molecular Weight: 265.309
• Nikkaji Number: J69.281F
• Mol file: 50823-55-7.mol

Synonyms:BRN 2661917;6-Oximido-2,3,4-trimethoxybenzocycloheptane;50823-55-7;2,3,4-Trimethoxy-5,7,8,9-tetrahydro-6H-benzocyclohepten-6-one oxime;6H-BENZOCYCLOHEPTEN-6-ONE, 5,7,8,9-TETRAHYDRO-2,3,4-TRIMETHOXY-, OXIME;LS-33913;6H-Benzocyclohepten-6-one, 5,7,8,9-tetrahydro-2,3,4-trimethoxy-,oxime

Chemical Property of 2,3,4-Trimethoxy-5,7,8,9-tetrahydro-6H-benzocyclohepten-6-one oxime

Chemical Property:

• Vapor Pressure: 1.25E-08mmHg at 25°C
• Boiling Point: 443°Cat760mmHg
• Flash Point: 221.7°C
• PSA: 60.28000
• Density: 1.2g/cm³
• LogP: 2.42140
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 265.13140809
• Heavy Atom Count: 19
• Complexity: 321

Purity/Quality:

2,3,4-TRIMETHOXY-5,7,8,9-TETRAHYDRO-6H-BENZOCYCLOHEPTEN-6-ONE OXIME 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=C2CC(=NO)CCCC2=C1)OC)OC
• Isomeric SMILES: COC1=C(C(=C2C/C(=N\O)/CCCC2=C1)OC)OC