(1S,4R,5S,6R)-6-(Thiophen-2-Ylmethylcarbamoyl)Bicyclo[2.2.1]Hept-2-Ene-5-Carboxylic acid
[CAS# 331416-18-3]

Identification

• Name: (1S,4R,5S,6R)-6-(Thiophen-2-Ylmethylcarbamoyl)Bicyclo[2.2.1]Hept-2-Ene-5-Carboxylic acid
• Synonyms: (1S,4R,5S,6R)-6-(2-Thienylmethylcarbamoyl)Bicyclo[2.2.1]Hept-2-Ene-5-Carboxylate; (1S,4R,5S,6R)-6-[Oxo-(2-Thienylmethylamino)Methyl]-5-Bicyclo[2.2.1]Hept-2-Enecarboxylate; Zinc02570301
• Molecular Formula: C₁₄H₁₄NO₃S
• Molecular Weight: 276.33
• CAS Registry Number: 331416-18-3
• SMILES: [C@@H]1([C@H]([C@@H]2C[C@H]1C=C2)C([O-])=O)C(=O)NCC3=CC=CS3
• InChI: 1S/C14H15NO3S/c16-13(15-7-10-2-1-5-19-10)11-8-3-4-9(6-8)12(11)14(17)18/h1-5,8-9,11-12H,6-7H2,(H,15,16)(H,17,18)/p-1/t8-,9+,11-,12+/m1/s1
• InChIKey: QFQGWRWEAGNSDM-DMWPJOQESA-M

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 563.9±50.0°C at 760 mmHg (Cal.)
• Flash point: 294.8±30.1°C (Cal.)