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15997-62-3 | 2H-Pyran-2,6(3H)-dione, 4-(acetyloxy)-
CAS No: 15997-62-3 Catalog No: AG001RKL MDL No:
Product Description
Catalog Number:
AG001RKL
Chemical Name:
2H-Pyran-2,6(3H)-dione, 4-(acetyloxy)-
CAS Number:
15997-62-3
Molecular Formula:
C7H6O5
Molecular Weight:
170.1195
IUPAC Name:
(2,6-dioxo-3H-pyran-4-yl) acetate
InChI:
InChI=1S/C7H6O5/c1-4(8)11-5-2-6(9)12-7(10)3-5/h2H,3H2,1H3
InChI Key:
IWUSEHGANVYEQR-UHFFFAOYSA-N
SMILES:
CC(=O)OC1=CC(=O)OC(=O)C1
EC Number:
605-195-1
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.022g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.12g/mol
Monoisotopic Mass:
170.022g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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