(1R-(1alpha,5alpha,6alpha))-5-Hydroxy-3-(hydroxymethyl)-7-Oxabicyclo(4.1.0)hept-3-en-2-one
[CAS# 67772-76-3]

Identification

• Name: (1R-(1alpha,5alpha,6alpha))-5-Hydroxy-3-(hydroxymethyl)-7-Oxabicyclo(4.1.0)hept-3-en-2-one
• Synonyms: (1S,2R,6S)-2-Hydroxy-4-Methylol-7-Oxabicyclo[4.1.0]Hept-3-En-5-One; 5,6-Epoxy-4-Hydroxy-2-Hydroxymethylcyclohex-2-En-1-One; 7-Oxabicyclo(4.1.0)Hept-3-En-2-One, 5-Hydroxy-3-(Hydroxymethyl)-, (1R-(1Alpha,5Alpha,6Alpha))-
• Molecular Formula: C₇H₈O₄
• Molecular Weight: 156.14
• CAS Registry Number: 67772-76-3
• SMILES: [C@@H]12[C@@H](O1)[C@@H](C=C(C2=O)CO)O
• InChI: 1S/C7H8O4/c8-2-3-1-4(9)6-7(11-6)5(3)10/h1,4,6-9H,2H2/t4-,6+,7-/m1/s1
• InChIKey: VTLJDPHPVHSVGR-PRMYIZFSSA-N

Properties

• Density: 1.568g/cm³ (Cal.)
• Boiling point: 445.167°C at 760 mmHg (Cal.)
• Flash point: 196.245°C (Cal.)