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120040-08-6 | 2H-Pyran-3(6H)-one, 6-[(acetyloxy)methyl]-6-hydroxy-
CAS No: 120040-08-6 Catalog No: AG000Q5Y MDL No:
Product Description
Catalog Number:
AG000Q5Y
Chemical Name:
2H-Pyran-3(6H)-one, 6-[(acetyloxy)methyl]-6-hydroxy-
CAS Number:
120040-08-6
Molecular Formula:
C8H10O5
Molecular Weight:
186.1620
IUPAC Name:
(2-hydroxy-5-oxopyran-2-yl)methyl acetate
InChI:
InChI=1S/C8H10O5/c1-6(9)12-5-8(11)3-2-7(10)4-13-8/h2-3,11H,4-5H2,1H3
InChI Key:
ZKMNECGBCBPSRD-UHFFFAOYSA-N
SMILES:
CC(=O)OCC1(O)OCC(=O)C=C1
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.053g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.163g/mol
Monoisotopic Mass:
186.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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