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189443-67-2 | 2H-Pyran-2-one, tetrahydro-6-(4-methylphenyl)-4-phenyl-, (4R,6S)-rel-
CAS No: 189443-67-2 Catalog No: AG002DNZ MDL No:
Product Description
Catalog Number:
AG002DNZ
Chemical Name:
2H-Pyran-2-one, tetrahydro-6-(4-methylphenyl)-4-phenyl-, (4R,6S)-rel-
CAS Number:
189443-67-2
Molecular Formula:
C18H18O2
Molecular Weight:
266.3343
IUPAC Name:
(4S,6R)-6-(4-methylphenyl)-4-phenyloxan-2-one
InChI:
InChI=1S/C18H18O2/c1-13-7-9-15(10-8-13)17-11-16(12-18(19)20-17)14-5-3-2-4-6-14/h2-10,16-17H,11-12H2,1H3/t16-,17+/m0/s1
InChI Key:
CCUSASWCLNHSPB-DLBZAZTESA-N
SMILES:
O=C1O[C@@H](C[C@H](C1)c1ccccc1)c1ccc(cc1)C
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
266.131g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.34g/mol
Monoisotopic Mass:
266.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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