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69222-61-3

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Basic Information
CAS No.: 69222-61-3
Name: 2H-Cyclopenta[b]furan-2-one, hexahydro-4-(hydroxymethyl)-5-[(tetrahydro-2H-pyran-2-yl)oxy]-, (3aR,4S,5R,6aS)-
Article Data: 5
Molecular Structure:
Molecular Structure of 69222-61-3 (2H-Cyclopenta[b]furan-2-one, hexahydro-4-(hydroxymethyl)-5-[(tetrahydro-2H-pyran-2-yl)oxy]-, (3aR,4S,5R,6aS)-)
Formula: C13H20 O5
Molecular Weight: 256.299
Synonyms: 2H-Cyclopenta[b]furan-2-one,hexahydro-4-(hydroxymethyl)-5-[(tetrahydro-2H-pyran-2-yl)oxy]-, [3aR-(3aa,4a,5b,6aa)]-
Density: 1.26
Boiling Point: 454.2±45.0 °C(Predicted)
Appearance: Colorless or light yellow viscous liquid
PSA: 64.99000
LogP: 0.84210
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Chemistry

Molecular Structure of Corey lactone (CAS NO.69222-61-3):

IUPAC Name: (3aR,4S,5R,6aS)-4-(Hydroxymethyl)-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one 
Molecular Formula: C13H20O5
Molecular Weight: 256.29 
H bond acceptors: 5
H bond donors: 1
Freely Rotating Bonds: 4
Index of Refraction: 1.531
Molar Refractivity: 62.876 cm3
Molar Volume: 203.204 cm3
Surface Tension: 48.138 dyne/cm
Density: 1.261 g/cm3
Flash Point: 174.359 °C
Enthalpy of Vaporization: 82.343 kJ/mol
Boiling Point: 454.247 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25 °C
Product Categories: API intermediates
Canonical SMILES: C1CCOC(C1)OC2CC3C(C2CO)CC(=O)O3
Isomeric SMILES: C1CCOC(C1)O[C@@H]2C[C@H]3[C@@H]([C@H]2CO)CC(=O)O3
InChI: InChI=1S/C13H20O5/c14-7-9-8-5-12(15)17-10(8)6-11(9)18-13-3-1-2-4-16-13/h8-11,13-14H,1-7H2/t8-,9-,10+,11-,13?/m1/s1
InChIKey: CORRAXPZMWTYIP-TWEVDUBQSA-N

Specification

 Corey lactone (CAS NO.69222-61-3), its Synonyms are 2H-Cyclopenta[b]furan-2-one,hexahydro-4-(hydroxymethyl)-5-[(tetrahydro-2H-pyran-2-yl)oxy]-,(3aR,4S,5R,6aS)- ; 2H-Cyclopenta[b]furan-2-one,hexahydro-4-(hydroxymethyl)-5-[(tetrahydro-2H-pyran-2-yl)oxy]-, [3aR-(3aa,4a,5b,6aa)]- ; (3aR,4S,5R,6aS)-Hexahydro-4-(hydroxymethyl)-5-[(tetrahydro-2H-pyran-2-yl)oxy]-2H-cyclopenta[b]furan-2-one .