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89647-76-7 | 2H-Pyran-2-one, 4-(acetyloxy)-6-[4-(acetyloxy)phenyl]-5,6-dihydro-
CAS No: 89647-76-7 Catalog No: AG003VHB MDL No:
Product Description
Catalog Number:
AG003VHB
Chemical Name:
2H-Pyran-2-one, 4-(acetyloxy)-6-[4-(acetyloxy)phenyl]-5,6-dihydro-
CAS Number:
89647-76-7
Molecular Formula:
C15H14O6
Molecular Weight:
290.2681
IUPAC Name:
[2-(4-acetyloxyphenyl)-6-oxo-2,3-dihydropyran-4-yl] acetate
InChI:
InChI=1S/C15H14O6/c1-9(16)19-12-5-3-11(4-6-12)14-7-13(20-10(2)17)8-15(18)21-14/h3-6,8,14H,7H2,1-2H3
InChI Key:
YDDUGJKFQDIJFD-UHFFFAOYSA-N
SMILES:
CC(=O)OC1=CC(=O)OC(C1)c1ccc(cc1)OC(=O)C
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.079g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.271g/mol
Monoisotopic Mass:
290.079g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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