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6946-10-7 | 1,3-Diacetoxyacetone ,
CAS No: 6946-10-7 Catalog No: AG003DII MDL No:MFCD01310655
Product Description
Catalog Number:
AG003DII
Chemical Name:
1,3-Diacetoxyacetone ,
CAS Number:
6946-10-7
MDL Number:
MFCD01310655
IUPAC Name:
(3-acetyloxy-2-oxopropyl) acetate
InChI:
InChI=1S/C7H10O5/c1-5(8)11-3-7(10)4-12-6(2)9/h3-4H2,1-2H3
InChI Key:
PZVCVSQSQHGBNE-UHFFFAOYSA-N
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.053g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.152g/mol
Monoisotopic Mass:
174.053g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
Literature
| Title | Journal |
|---|---|
| Synthesis, oral bioavailability determination, and in vitro evaluation of prodrugs of the antiviral agent 9-[2-(phosphonomethoxy)ethyl]adenine (PMEA). | Journal of medicinal chemistry 19940610 |
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