1-(6-Methoxy-7-methyl-6H-[1,2,5]oxadiazolo[3,4-e]indol-8-yl)ethan-1-one

Base Information

• Chemical Name: 1-(6-Methoxy-7-methyl-6H-[1,2,5]oxadiazolo[3,4-e]indol-8-yl)ethan-1-one
• CAS No.: 306935-64-8
• Molecular Formula: C12H11 N3 O3
• Molecular Weight: 245.23
• DSSTox Substance ID: DTXSID10349694
• Wikidata: Q82125096
• ChEMBL ID: CHEMBL1446954
• Mol file: 306935-64-8.mol

Synonyms:306935-64-8;1-(6-Methoxy-7-methyl-6H-[1,2,5]oxadiazolo[3,4-e]indol-8-yl)ethan-1-one;1-(6-methoxy-7-methyl-6H-[1,2,5]oxadiazolo[3,4-e]indol-8-yl)ethanone;1-(6-methoxy-7-methylpyrrolo[2,3-g][2,1,3]benzoxadiazol-8-yl)ethanone;8-Acetyl-6-methoxy-7-methyl-6H-[1,2,5]oxadiazolo[3,4-e]indole;MLS000038929;CHEMBL1446954;DTXSID10349694;HMS2292F13;CCG-43942;STK528914;AKOS005462048;SMR000038097;FT-0605803;A820526;SR-01000599204-2;1-(6-methoxy-7-methyl-8-pyrrolo[2,3-g][2,1,3]benzoxadiazolyl)ethanone

Chemical Property of 1-(6-Methoxy-7-methyl-6H-[1,2,5]oxadiazolo[3,4-e]indol-8-yl)ethan-1-one

Chemical Property:

• Vapor Pressure: 5.59E-07mmHg at 25°C
• Melting Point: 201 °C
• Boiling Point: 410.8°Cat760mmHg
• PKA: -1.55±0.40(Predicted)
• Flash Point: 202.3°C
• PSA: 70.15000
• Density: 1.45g/cm³
• LogP: 1.74690
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 245.08004122
• Heavy Atom Count: 18
• Complexity: 352

Purity/Quality:

98%min ^*data from raw suppliers

1-(6-METHOXY-7-METHYL-6H-[1,2,5]OXADIAZOLO[3,4-E]INDOL-8-YL)ETHAN-1-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C2=C(N1OC)C=CC3=NON=C32)C(=O)C