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Home >> Chemical Listing >> Page 2291 >> (1S,2R,6S,7R)-4-Oxatricyclo[5.2.1.02,6]decan-3-one

(1S,2R,6S,7R)-4-Oxatricyclo[5.2.1.02,6]decan-3-one
[CAS# 694502-98-2]

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Identification
Name (1S,2R,6S,7R)-4-Oxatricyclo[5.2.1.02,6]decan-3-one
Synonyms (3aS,4R,7S,7aR)-hexahydro-4,7-methanoisobenzofuran-1(3H)-one
Molecular Structure CAS#: 694502-98-2, (1S,2R,6S,7R)-4-Oxatricyclo[5.2.1.0<sup>2,6</sup>]decan-3-one
Molecular Formula C9H12O2
Molecular Weight 152.19
CAS Registry Number 694502-98-2
SMILES O=C2OC[C@H]3[C@@H]1CC[C@@H](C1)[C@@H]23
InChI 1S/C9H12O2/c10-9-8-6-2-1-5(3-6)7(8)4-11-9/h5-8H,1-4H2/t5-,6+,7+,8-/m1/s1
InChIKey DGTBPTXOXUGLAH-VGRMVHKJSA-N
Properties
Density 1.198g/cm3 (Cal.)
Boiling point 289.506°C at 760 mmHg (Cal.)
Flash point 117.041°C (Cal.)
Refractive index 1.531 (Cal.)
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