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115445-99-3 | 2,4,6-Cycloheptatrien-1-one, 2,3,5,7-tetrakis(acetyloxy)-
CAS No: 115445-99-3 Catalog No: AG000G0D MDL No:
Product Description
Catalog Number:
AG000G0D
Chemical Name:
2,4,6-Cycloheptatrien-1-one, 2,3,5,7-tetrakis(acetyloxy)-
CAS Number:
115445-99-3
Molecular Formula:
C15H14O9
Molecular Weight:
338.2663
IUPAC Name:
(3,4,6-triacetyloxy-5-oxocyclohepta-1,3,6-trien-1-yl) acetate
InChI:
InChI=1S/C15H14O9/c1-7(16)21-11-5-12(22-8(2)17)14(20)15(24-10(4)19)13(6-11)23-9(3)18/h5-6H,1-4H3
InChI Key:
ZAJFQQVFVBRMMY-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1cc(OC(=O)C)c(=O)c(c(c1)OC(=O)C)OC(=O)C
Properties
Complexity:
707
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.064g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.268g/mol
Monoisotopic Mass:
338.064g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| Inhibition of human immunodeficiency virus type 1 reverse transcriptase, RNase H, and integrase activities by hydroxytropolones. | Antimicrobial agents and chemotherapy 20051201 |
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