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Home >> Chemical Listing >> Page 927 >> (1R,4S,5S)-2-Oxabicyclo[2.2.2]Octane-5-Carboxylic Acid

(1R,4S,5S)-2-Oxabicyclo[2.2.2]Octane-5-Carboxylic Acid
[CAS# 218624-39-6]

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Identification
Name (1R,4S,5S)-2-Oxabicyclo[2.2.2]Octane-5-Carboxylic Acid
Molecular Structure CAS#: 218624-39-6, (1R,4S,5S)-2-Oxabicyclo[2.2.2]Octane-5-Carboxylic Acid
Molecular Formula C8H12O3
Molecular Weight 156.18
CAS Registry Number 218624-39-6
SMILES C1C[C@@H]2CO[C@H]1C[C@@H]2C(=O)O
InChI 1S/C8H12O3/c9-8(10)7-3-6-2-1-5(7)4-11-6/h5-7H,1-4H2,(H,9,10)/t5-,6-,7+/m1/s1
InChIKey PENVUTAAVVXYNG-QYNIQEEDSA-N
Properties
Density 1.2±0.1g/cm3 (Cal.)
Boiling point 303.0±35.0°C at 760 mmHg (Cal.)
Flash point 126.8±19.4°C (Cal.)
Refractive index 1.515 (Cal.)
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