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6614-52-4

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Basic Information
CAS No.: 6614-52-4
Name: (+)-5,6-o-Cyclohexylidene-l-ascorbic acid
Article Data: 5
Molecular Structure:
Molecular Structure of 6614-52-4 ((+)-5,6-o-Cyclohexylidene-l-ascorbic acid)
Formula: C12H16O6
Molecular Weight: 256.255
Synonyms: (5R)-5-(1,4-dioxaspiro[4.5]decan-2-yl)-3,4-dihydroxy-5H-furan-2-one;
Density: 1.45 g/cm3
Melting Point: 180 °C (dec.)(lit.)
Boiling Point: 475.5 °C at 760 mmHg
Flash Point: 186.8 °C
Safety: 22-24/25
PSA: 85.22000
LogP: 1.31520
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Specification

The CAS registry number of (+)-5,6-o-Cyclohexylidene-l-ascorbic acid is 6614-52-4. The systematic name is (5R)-5-(1,4-dioxaspiro[4.5]decan-2-yl)-3,4-dihydroxy-5H-furan-2-one. In addition, the molecular formula is C12H16O6 and the molecular weight is 256.25. When you are using this chemical, you should not breathe dust. And you should avoid contact with skin and eyes.

Physical properties about (+)-5,6-O-(+)-5,6-o-Cyclohexylidene-l-ascorbic acid are: (1)ACD/LogP: 1.03; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 4.6; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 6; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 85.22 Å2; (10)Index of Refraction: 1.589; (11)Molar Refractivity: 59.3 cm3; (12)Molar Volume: 175.9 cm3; (13)Polarizability: 23.51×10-24 cm3; (14)Surface Tension: 62.4 dyne/cm; (15)Density: 1.45 g/cm3; (16)Flash Point: 186.8 °C; (17)Enthalpy of Vaporization: 85.18 kJ/mol; (18)Boiling Point: 475.5 °C at 760 mmHg; (19)Vapour Pressure: 4.89E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O\C3=C(/O)C(=O)O[C@@H]3C2OC1(CCCCC1)OC2
(2)InChI: InChI=1/C12H16O6/c13-8-9(14)11(15)17-10(8)7-6-16-12(18-7)4-2-1-3-5-12/h7,10,13-14H,1-6H2/t7?,10-/m1/s1
(3)InChIKey: SKQBFUVTZXIHLB-OMNKOJBGBS