3-Ethyl-6,6-dimethyl-7-oxo-4-oxa-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
[CAS# 792157-87-0]

Identification

• Name: 3-Ethyl-6,6-dimethyl-7-oxo-4-oxa-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
• Synonyms: 3-ethyl-6,6-dimethyl-7-oxo-4-oxa-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid; 4-OXA-1-AZABICYCLO[3.2.0]HEPT-2-ENE-2-CARBOXYLICACID, 3-ETHYL-6,6-DIMETHYL-7-OXO-
• Molecular Formula: C₁₀H₁₃NO₄
• Molecular Weight: 211.21
• CAS Registry Number: 792157-87-0
• SMILES: CCC1=C(N2C(O1)C(C2=O)(C)C)C(=O)O
• InChI: 1S/C10H13NO4/c1-4-5-6(7(12)13)11-8(14)10(2,3)9(11)15-5/h9H,4H2,1-3H3,(H,12,13)
• InChIKey: XMXJBVPFJORNJO-UHFFFAOYSA-N

Properties

• Density: 1.361g/cm³ (Cal.)
• Boiling point: 384.724°C at 760 mmHg (Cal.)
• Flash point: 186.474°C (Cal.)
• Refractive index: 1.573 (Cal.)