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29199-26-6 | 4H-Pyran-4-one, 3,5-bis(acetyloxy)-2,3-dihydro-6-methyl-
CAS No: 29199-26-6 Catalog No: AG002XN6 MDL No:
Product Description
Catalog Number:
AG002XN6
Chemical Name:
4H-Pyran-4-one, 3,5-bis(acetyloxy)-2,3-dihydro-6-methyl-
CAS Number:
29199-26-6
Molecular Formula:
C10H12O6
Molecular Weight:
228.1987
IUPAC Name:
(5-acetyloxy-6-methyl-4-oxo-2,3-dihydropyran-3-yl) acetate
InChI:
InChI=1S/C10H12O6/c1-5-10(16-7(3)12)9(13)8(4-14-5)15-6(2)11/h8H,4H2,1-3H3
InChI Key:
OUFMFGROFAWBFF-UHFFFAOYSA-N
SMILES:
CC(=O)OC1COC(=C(C1=O)OC(=O)C)C
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.063g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.2g/mol
Monoisotopic Mass:
228.063g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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