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113519-12-3 | 2H-Pyran-2-one, tetrahydro-6-(2-phenylethenyl)-5-(phenylsulfonyl)-, cis- (9CI)
CAS No: 113519-12-3 Catalog No: AG0008VX MDL No:
Product Description
Catalog Number:
AG0008VX
Chemical Name:
2H-Pyran-2-one, tetrahydro-6-(2-phenylethenyl)-5-(phenylsulfonyl)-, cis- (9CI)
CAS Number:
113519-12-3
Molecular Formula:
C19H18O4S
Molecular Weight:
342.4088
IUPAC Name:
(5R,6R)-5-(benzenesulfonyl)-6-(2-phenylethenyl)oxan-2-one
InChI:
InChI=1S/C19H18O4S/c20-19-14-13-18(24(21,22)16-9-5-2-6-10-16)17(23-19)12-11-15-7-3-1-4-8-15/h1-12,17-18H,13-14H2/t17-,18-/m1/s1
InChI Key:
NNEURMOBBDOWNZ-QZTJIDSGSA-N
SMILES:
O=C1CC[C@H]([C@H](O1)C=Cc1ccccc1)S(=O)(=O)c1ccccc1
Properties
Complexity:
548
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
342.093g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.409g/mol
Monoisotopic Mass:
342.093g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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