2-(4-Methylphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid

Base Information

• Chemical Name: 2-(4-Methylphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
• CAS No.: 14261-91-7
• Molecular Formula: C₁₆H₁₅NO₄
• Molecular Weight: 285.299
• DSSTox Substance ID: DTXSID90387918
• Mol file: 14261-91-7.mol

Synonyms:14261-91-7;1-Oxo-2-(p-tolyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid;2-(4-methylphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid;4-Oxo-3-p-tolyl-10-oxa-3-aza-tricyclo[5.2.1.0*1,5*]dec-8-ene-6-carboxylic acid;3-(4-methylphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid;ChemDiv3_005108;Oprea1_228895;Oprea1_734733;DTXSID90387918;KUFKGDZHWPMXNX-UHFFFAOYSA-N;HMS1487I04;STK384079;AKOS000300740;AKOS022006053;CCG-115097;IDI1_023018;4-oxo-3-p-tolyl-10-oxa-3-aza-tricyclo[;CS-0334152;FT-0676740;3-(4-methylphenyl)-4-oxo-10-oxa-3-azatricyclo[;AM-760/41582980;1-Oxo-2-(p-tolyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylicacid;3-(4-methylphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-6-carboxylic acid

Chemical Property of 2-(4-Methylphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid

Chemical Property:

• Vapor Pressure: 6.2E-16mmHg at 25°C
• Boiling Point: 614°Cat760mmHg
• Flash Point: 325.2°C
• Density: g/cm³
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 285.10010796
• Heavy Atom Count: 21
• Complexity: 522

Purity/Quality:

98%min ^*data from raw suppliers

4-Oxo-3-p-tolyl-10-oxa-3-aza-tricyclo[5.2.1.0*1,5*]dec-8-ene-6-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)N2CC34C=CC(O3)C(C4C2=O)C(=O)O