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29620-80-2 | 2-Propen-1-one, 2-[(4-methylphenyl)sulfonyl]-1,3-diphenyl-, (2E)-
CAS No: 29620-80-2 Catalog No: AG002YWH MDL No:
Product Description
Catalog Number:
AG002YWH
Chemical Name:
2-Propen-1-one, 2-[(4-methylphenyl)sulfonyl]-1,3-diphenyl-, (2E)-
CAS Number:
29620-80-2
Molecular Formula:
C22H18O3S
Molecular Weight:
362.4415
IUPAC Name:
2-(4-methylphenyl)sulfonyl-1,3-diphenylprop-2-en-1-one
InChI:
InChI=1S/C22H18O3S/c1-17-12-14-20(15-13-17)26(24,25)21(16-18-8-4-2-5-9-18)22(23)19-10-6-3-7-11-19/h2-16H,1H3
InChI Key:
VIQFBFOLZASZHC-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)/C(=C/c1ccccc1)/C(=O)c1ccccc1
Properties
Complexity:
594
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.098g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
362.443g/mol
Monoisotopic Mass:
362.098g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.1
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