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918341-08-9 | Ethanone, 1-[3-[(1E)-2-(methylsulfonyl)ethenyl]phenyl]-
CAS No: 918341-08-9 Catalog No: AG006G4Q MDL No:
Product Description
Catalog Number:
AG006G4Q
Chemical Name:
Ethanone, 1-[3-[(1E)-2-(methylsulfonyl)ethenyl]phenyl]-
CAS Number:
918341-08-9
Molecular Formula:
C11H12O3S
Molecular Weight:
224.2762
IUPAC Name:
1-[3-(2-methylsulfonylethenyl)phenyl]ethanone
InChI:
InChI=1S/C11H12O3S/c1-9(12)11-5-3-4-10(8-11)6-7-15(2,13)14/h3-8H,1-2H3
InChI Key:
AJQYPTYWELZVHA-UHFFFAOYSA-N
SMILES:
CC(=O)c1cccc(c1)/C=C/S(=O)(=O)C
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.051g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.274g/mol
Monoisotopic Mass:
224.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.3
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