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89434-42-4 | 3-Buten-2-one, 4-[4-(methylsulfinyl)phenyl]-
CAS No: 89434-42-4 Catalog No: AG00441S MDL No:
Product Description
Catalog Number:
AG00441S
Chemical Name:
3-Buten-2-one, 4-[4-(methylsulfinyl)phenyl]-
CAS Number:
89434-42-4
Molecular Formula:
C11H12O2S
Molecular Weight:
208.2768
IUPAC Name:
4-(4-methylsulfinylphenyl)but-3-en-2-one
InChI:
InChI=1S/C11H12O2S/c1-9(12)3-4-10-5-7-11(8-6-10)14(2)13/h3-8H,1-2H3
InChI Key:
DZGVYRPHXCPQID-UHFFFAOYSA-N
SMILES:
CC(=O)C=Cc1ccc(cc1)S(=O)C
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.056g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.275g/mol
Monoisotopic Mass:
208.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
1.2
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