3-(2-Methoxy-Phenylcarbamoyl)-Bicyclo[2.2.1]Hept-5-Ene-2-Carboxylic Acid
[CAS# 61894-11-9]

Identification

• Name: 3-(2-Methoxy-Phenylcarbamoyl)-Bicyclo[2.2.1]Hept-5-Ene-2-Carboxylic Acid
• Synonyms: (1S,4R,5S,6S)-6-[[(2-Methoxyphenyl)Amino]-Oxomethyl]-5-Bicyclo[2.2.1]Hept-2-Enecarboxylate; Zinc00137565
• Molecular Formula: C₁₆H₁₆NO₄
• Molecular Weight: 286.31
• CAS Registry Number: 61894-11-9
• SMILES: [C@H]1([C@H]([C@@H]2C[C@H]1C=C2)C([O-])=O)C(=O)NC3=C(OC)C=CC=C3
• InChI: 1S/C16H17NO4/c1-21-12-5-3-2-4-11(12)17-15(18)13-9-6-7-10(8-9)14(13)16(19)20/h2-7,9-10,13-14H,8H2,1H3,(H,17,18)(H,19,20)/p-1/t9-,10+,13+,14+/m1/s1
• InChIKey: ZOXKNVCXIKCYPF-OAACRXHESA-M

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 522.1±50.0°C at 760 mmHg (Cal.)
• Flash point: 269.6±30.1°C (Cal.)