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918340-98-4 | Methanone, phenyl[4-[(1E)-2-(phenylsulfinyl)ethenyl]phenyl]-
CAS No: 918340-98-4 Catalog No: AG006G4S MDL No:
Product Description
Catalog Number:
AG006G4S
Chemical Name:
Methanone, phenyl[4-[(1E)-2-(phenylsulfinyl)ethenyl]phenyl]-
CAS Number:
918340-98-4
Molecular Formula:
C21H16O2S
Molecular Weight:
332.4155
IUPAC Name:
[4-[2-(benzenesulfinyl)ethenyl]phenyl]-phenylmethanone
InChI:
InChI=1S/C21H16O2S/c22-21(18-7-3-1-4-8-18)19-13-11-17(12-14-19)15-16-24(23)20-9-5-2-6-10-20/h1-16H
InChI Key:
MDYOARAPXMDQSF-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)c1ccc(cc1)/C=C/S(=O)c1ccccc1
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.087g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.417g/mol
Monoisotopic Mass:
332.087g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
4.5
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