[(1S,2R,3S)-3-Methyl-2-(Nitromethyl)-5-Oxocyclopentyl]Acetic Acid
[CAS# 123000-45-3]

Identification

• Name: [(1S,2R,3S)-3-Methyl-2-(Nitromethyl)-5-Oxocyclopentyl]Acetic Acid
• Synonyms: [1S-(1β,2α,3β)]-(+)-3-Methyl-2-(nitromethyl)-5-oxocyclopentaneacetic acid; 647497_ALDRICH
• Molecular Formula: C₉H₁₃NO₅
• Molecular Weight: 215.20
• CAS Registry Number: 123000-45-3
• 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+/m0/s1
• InChIKey: YPCIKCQPODDZAT-LYFYHCNISA-N

Properties

• Density: 1.257g/cm³ (Cal.)
• Boiling point: 433.122°C at 760 mmHg (Cal.)
• Flash point: 190.513°C (Cal.)
• Refractive index: 1.49 (Cal.)