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113519-11-2 | 2H-Pyran-2-one, tetrahydro-6-phenyl-5-(phenylsulfonyl)-, cis- (9CI)
CAS No: 113519-11-2 Catalog No: AG0008VY MDL No:
Product Description
Catalog Number:
AG0008VY
Chemical Name:
2H-Pyran-2-one, tetrahydro-6-phenyl-5-(phenylsulfonyl)-, cis- (9CI)
CAS Number:
113519-11-2
Molecular Formula:
C17H16O4S
Molecular Weight:
316.3715
IUPAC Name:
5-(benzenesulfonyl)-6-phenyloxan-2-one
InChI:
InChI=1S/C17H16O4S/c18-16-12-11-15(17(21-16)13-7-3-1-4-8-13)22(19,20)14-9-5-2-6-10-14/h1-10,15,17H,11-12H2
InChI Key:
PZGRIHNWPNKRRU-UHFFFAOYSA-N
SMILES:
O=C1CC[C@H]([C@H](O1)c1ccccc1)S(=O)(=O)c1ccccc1
Properties
Complexity:
481
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.077g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.371g/mol
Monoisotopic Mass:
316.077g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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