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188670-22-6 | 2H-Pyran-3(6H)-one, 6-(acetyloxy)-, (6S)-
CAS No: 188670-22-6 Catalog No: AG002H4N MDL No:
Product Description
Catalog Number:
AG002H4N
Chemical Name:
2H-Pyran-3(6H)-one, 6-(acetyloxy)-, (6S)-
CAS Number:
188670-22-6
Molecular Formula:
C7H8O4
Molecular Weight:
156.1360
IUPAC Name:
[(2S)-5-oxo-2H-pyran-2-yl] acetate
InChI:
InChI=1S/C7H8O4/c1-5(8)11-7-3-2-6(9)4-10-7/h2-3,7H,4H2,1H3/t7-/m0/s1
InChI Key:
JJVMFCRCFSJODB-ZETCQYMHSA-N
SMILES:
CC(=O)O[C@@H]1OCC(=O)C=C1
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
156.042g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.137g/mol
Monoisotopic Mass:
156.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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