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138298-24-5 | 2H-Pyran-2-one, tetrahydro-6-(2-phenylethyl)-, (6S)-
CAS No: 138298-24-5 Catalog No: AG0018H3 MDL No:
Product Description
Catalog Number:
AG0018H3
Chemical Name:
2H-Pyran-2-one, tetrahydro-6-(2-phenylethyl)-, (6S)-
CAS Number:
138298-24-5
Molecular Formula:
C13H16O2
Molecular Weight:
204.2649
IUPAC Name:
6-(2-phenylethyl)oxan-2-one
InChI:
InChI=1S/C13H16O2/c14-13-8-4-7-12(15-13)10-9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2
InChI Key:
AMEMWRWJHRMMAS-UHFFFAOYSA-N
SMILES:
O=C1CCC[C@H](O1)CCc1ccccc1
NSC Number:
280677
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.115g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.269g/mol
Monoisotopic Mass:
204.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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