[(1R,2S,3R)-3-Methyl-2-(nitromethyl)-5-oxocyclopentyl]acetic acid
[CAS 86023-17-8]

Identification

• Name: [(1R,2S,3R)-3-Methyl-2-(nitromethyl)-5-oxocyclopentyl]acetic acid
• Synonyms: ((1R,2S,3R)-3-Methyl-2-nitromethyl-5-oxo-cyclopentyl)-acetic acid; [(1R,2S,3R)-3-methyl-2-(nitromethyl)-5-oxocyclopentyl]acetic acid; 2-((1R,2S,3R)-3-methyl-2-(nitromethyl)-5-oxocyclopentyl)acetic acid
• Molecular Formula: C₉H₁₃NO₅
• Molecular Weight: 215.20
• CAS Registry Number: 86023-17-8
• SMILES: O=[N+]([O-])C[C@@H]1[C@H](C(=O)C[C@H]1C)CC(=O)O
• InChI: 1S/C9H13NO5/c1-5-2-8(11)6(3-9(12)13)7(5)4-10(14)15/h5-7H,2-4H2,1H3,(H,12,13)/t5-,6-,7+/m1/s1
• InChIKey: YPCIKCQPODDZAT-QYNIQEEDSA-N

Properties

• Density: 1.257g/cm³ (Cal.)
• Boiling point: 433.122°C at 760 mmHg (Cal.)
• Flash point: 190.513°C (Cal.)