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119239-93-9 | 2H-Pyran-2-one, tetrahydro-4-hydroxy-6-(2-phenylethyl)-, (4S,6S)-
CAS No: 119239-93-9 Catalog No: AG000IFC MDL No:
Product Description
Catalog Number:
AG000IFC
Chemical Name:
2H-Pyran-2-one, tetrahydro-4-hydroxy-6-(2-phenylethyl)-, (4S,6S)-
CAS Number:
119239-93-9
Molecular Formula:
C13H16O3
Molecular Weight:
220.2643
IUPAC Name:
4-hydroxy-6-(2-phenylethyl)oxan-2-one
InChI:
InChI=1S/C13H16O3/c14-11-8-12(16-13(15)9-11)7-6-10-4-2-1-3-5-10/h1-5,11-12,14H,6-9H2
InChI Key:
APKLLCZNMMGUGL-UHFFFAOYSA-N
SMILES:
O[C@H]1C[C@H](CCc2ccccc2)OC(=O)C1
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.268g/mol
Monoisotopic Mass:
220.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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