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117641-39-1

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CAS No.: 117641-39-1
Name: (1S,2R,3S,5R)-2-(Benzyloxymethyl)-6-oxabicyclo[3.1.0]hexan-3-ol
Article Data: 8
Molecular Structure:
Molecular Structure of 117641-39-1 ((1S,2R,3S,5R)-2-(Benzyloxymethyl)-6-oxabicyclo[3.1.0]hexan-3-ol)
Formula: C13H16O3
Molecular Weight: 220.268
Synonyms: 6-Oxabicyclo[3.1.0]hexan-3-ol,2-[(phenylmethoxy)methyl]-, [1S-(1a,2a,3b,5a)]-;
Density: 1.223 g/cm3
Boiling Point: 363.129 °C at 760 mmHg
Flash Point: 173.415 °C
PSA: 41.99000
LogP: 1.35140
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  • (1S,2R,3S,5R)-2-(Benzyloxymethyl)-6-oxabicyclo[3.1.0]hexan-3-ol

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    117641-39-1

    (1S,2R,3S,5R)-2-(Benzyloxymethyl)-6-oxabicyclo[3.1.0]hexan-3-ol

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  • (1S,2R,3S,5R)-2-(Benzyloxymethyl)-6-oxabicyclo[3.1.0]hexan-3-ol

  • Casno:

    117641-39-1

    (1S,2R,3S,5R)-2-(Benzyloxymethyl)-6-oxabicyclo[3.1.0]hexan-3-ol

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Chemistry

Molecular Structure of (1S,2R,3S,5R)-2-(Benzyloxymethyl)-6-oxabicyclo[3.1.0]hexan-3-ol (CAS NO.117641-39-1):

Systematic Name: (1S,2R,3S,5R)-2-[(Benzyloxy)methyl]-6-oxabicyclo[3.1.0]hexan-3-ol 
Molecular Formula: C13H16O3
Molecular Weight: 220.26
CAS Registry Number: 117641-39-1 
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 5
Index of Refraction: 1.579
Molar Refractivity: 59.866 cm3
Molar Volume: 180.141 cm3
Surface Tension: 48.83 dyne/cm
Density: 1.223 g/cm3
Flash Point: 173.415 °C
Enthalpy of Vaporization: 64.272 kJ/mol
Boiling Point: 363.129 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25 °C
SMILES: O(C[C@@H]1[C@@H](O)C[C@H]2O[C@@H]12)Cc3ccccc3
InChI: InChI=1/C13H16O3/c14-11-6-12-13(16-12)10(11)8-15-7-9-4-2-1-3-5-9/h1-5,10-14H,6-8H2/t10-,11+,12-,13+/m1/s1
InChIKey: LPHHAQDOQOLDFK-XQHKEYJVBI

Specification

 (1S,2R,3S,5R)-2-(Benzyloxymethyl)-6-oxabicyclo[3.1.0]hexan-3-ol (CAS NO.117641-39-1), its Synonyms are 6-Oxabicyclo[3.1.0]hexan-3-ol,2-[(phenylmethoxy)methyl]-, (1S,2R,3S,5R)- ; 6-Oxabicyclo[3.1.0]hexan-3-ol,2-[(phenylmethoxy)methyl]-, [1S-(1alpha,2alpha,3beta,5alpha)]- .