2-Ethyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid

Base Information

• Chemical Name: 2-Ethyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
• CAS No.: 163035-51-6
• Molecular Formula: C11H13 N O4
• Molecular Weight: 223.23
• DSSTox Substance ID: DTXSID10389959
• Mol file: 163035-51-6.mol

Synonyms:163035-51-6;2-Ethyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid;3-Ethyl-4-oxo-10-oxa-3-aza-tricyclo[5.2.1.0*1,5*]dec-8-ene-6-carboxylic acid;3-ethyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid;3-Ethyl-4-oxo-10-oxa-3-aza-tricyclo[5.2.1.0(1,5)]dec-8-ene-6-carboxylic acid;ChemDiv2_004816;Oprea1_213137;DTXSID10389959;MIHCRRSFJZJEPF-UHFFFAOYSA-N;HMS1382K20;AKOS000300156;AKOS024303394;CCG-133401;IDI1_003531;3-ethyl-4-oxo-10-oxa-3-aza-tricyclo[;EU-0016967;FT-0676755;F1907-1247;2-Ethyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylicacid;3-Ethyl-4-oxo-10-oxa-3-aza-tricyclo[5.2.1.0*1,5*]-dec-8-ene-6-carboxylic acid

Chemical Property of 2-Ethyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 478°Cat760mmHg
• PKA: 4.33±0.20(Predicted)
• Flash Point: 242.9°C
• PSA: 66.84000
• Density: g/cm³
• LogP: -0.18920
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 223.08445790
• Heavy Atom Count: 16
• Complexity: 405

Purity/Quality:

98%min ^*data from raw suppliers

3-Ethyl-4-oxo-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: CCN1CC23C=CC(O2)C(C3C1=O)C(=O)O