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88357-05-5 | 2-Propanone, 1-[4-(methylsulfinyl)phenyl]-
CAS No: 88357-05-5 Catalog No: AG00457Z MDL No:
Product Description
Catalog Number:
AG00457Z
Chemical Name:
2-Propanone, 1-[4-(methylsulfinyl)phenyl]-
CAS Number:
88357-05-5
Molecular Formula:
C10H12O2S
Molecular Weight:
196.2661
IUPAC Name:
1-(4-methylsulfinylphenyl)propan-2-one
InChI:
InChI=1S/C10H12O2S/c1-8(11)7-9-3-5-10(6-4-9)13(2)12/h3-6H,7H2,1-2H3
InChI Key:
OIHKANIJFMECFL-UHFFFAOYSA-N
SMILES:
CC(=O)Cc1ccc(cc1)S(=O)C
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.056g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.264g/mol
Monoisotopic Mass:
196.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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