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105-70-4

105-70-4 | 1,2,3-Propanetriol,1,3-diacetate

CAS No: 105-70-4 Catalog No: AG0038CP MDL No:MFCD00008717

Product Description

Catalog Number:
AG0038CP
Chemical Name:
1,2,3-Propanetriol,1,3-diacetate
CAS Number:
105-70-4
Molecular Formula:
C7H12O5
Molecular Weight:
176.1672
MDL Number:
MFCD00008717
IUPAC Name:
(3-acetyloxy-2-hydroxypropyl) acetate
InChI:
InChI=1S/C7H12O5/c1-5(8)11-3-7(10)4-12-6(2)9/h7,10H,3-4H2,1-2H3
InChI Key:
MPPODKLDCLFLKT-UHFFFAOYSA-N
SMILES:
OC(COC(=O)C)COC(=O)C
EC Number:
203-323-7
UNII:
G45CU3Z186

Properties

Complexity:
147  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.068g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
176.168g/mol
Monoisotopic Mass:
176.068g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6  

Literature

Title Journal
Hydrolysis of triacetin catalyzed by immobilized lipases: effect of the immobilization protocol and experimental conditions on diacetin yield. Enzyme and microbial technology 20110506
Determination of the composition of acetylglycerol mixtures by (1)H NMR followed by GC investigation. Analytical chemistry 20081115

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