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86707-88-2 | 2H-Pyran-3(6H)-one, 6-(acetyloxy)-2-methyl-, trans-
CAS No: 86707-88-2 Catalog No: AG004O5T MDL No:
Product Description
Catalog Number:
AG004O5T
Chemical Name:
2H-Pyran-3(6H)-one, 6-(acetyloxy)-2-methyl-, trans-
CAS Number:
86707-88-2
Molecular Formula:
C8H10O4
Molecular Weight:
170.1626
IUPAC Name:
[(2S,6S)-6-methyl-5-oxo-2H-pyran-2-yl] acetate
InChI:
InChI=1S/C8H10O4/c1-5-7(10)3-4-8(11-5)12-6(2)9/h3-5,8H,1-2H3/t5-,8-/m0/s1
InChI Key:
GMRFAZZMYGJAQO-XNCJUZBTSA-N
SMILES:
CC(=O)O[C@H]1C=CC(=O)[C@@H](O1)C
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
170.058g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.164g/mol
Monoisotopic Mass:
170.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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