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79814-40-7

Basic Information
CAS No.: 79814-40-7
Name: (R)-(+)-2-Acetoxysuccinic anhydride
Article Data: 11
Molecular Structure:
Molecular Structure of 79814-40-7 ((R)-(+)-2-Acetoxysuccinic anhydride)
Formula: C6H6 O5
Molecular Weight: 158.111
Synonyms: 2,5-Furandione,3-(acetyloxy)dihydro-, (R)-;(R)-3-Acetoxy-3,4-dihydro-2,5-furandione;
Density: 1.386g/cm3
Melting Point: 56-58 °C(lit.)
Boiling Point: 296.588 °C at 760 mmHg
Flash Point: 133.093 °C
Solubility: Reacts in water.
Hazard Symbols: IrritantXi
Risk Codes: R36/37/38   
Safety:
Hazard Codes Xi
Risk Statements 36/37/38
Safety Statements 26-36
WGK Germany 3
10-21
PSA: 69.67000
LogP: -0.60840
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Specification

 

The (R)-(+)-2-Acetoxysuccinic anhydride with cas registry number 79814-40-7, is also named (+)-o-acetyl-d-malic anhydride ; o-acetyl d-malic anhydride .The (R)-(+)-2-Acetoxysuccinic anhydride belongs to the following product categories:(1)Chiral Compound; (2)Chiral Reagents; (3)Heterocycles; (4)Miscellaneous Reagents.

Physical properties of (R)-(+)-2-Acetoxysuccinic anhydride  :(1)ACD/LogP: -1.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): -1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5; (8)ACD/KOC (pH 7.4): 5; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 69.67 ?2 ; (13)Index of Refraction: 1.466; (14)Molar Refractivity: 31.586 cm3; (15)Molar Volume: 114.06 cm3; (16)Polarizability: 12.522×10-24cm3; (17)Surface Tension: 44.646 dyne/cm; (18)Enthalpy of Vaporization: 53.638 kJ/mol; (19)Vapour Pressure: 0.001 mmHg at 25°C .

When you are using this chemical, please be cautious about it as the following:
The (R)-(+)-2-Acetoxysuccinic anhydride irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:(1)SMILES:O=C(O[C@H]1C(=O)OC(=O)C1)C; (2)InChI:InChI=1/C6H6O5/c1-3(7)10-4-2-5(8)11-6(4)9/h4H,2H2,1H3/t4-/m1/s1; (3)InChIKey:SSWJHSASZZAIAU-SCSAIBSYBD; (4)Std. InChI:InChI=1S/C6H6O5/c1-3(7)10-4-2-5(8)11-6(4)9/h4H,2H2,1H3/t4-/m1/s1; (5)Std. InChIKey:SSWJHSASZZAIAU-SCSAIBSYSA-N.