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77657-95-5 | 4-(phenylsulfinyl)butan-2-one
CAS No: 77657-95-5 Catalog No: AG005GLK MDL No:
Product Description
Catalog Number:
AG005GLK
Chemical Name:
4-(phenylsulfinyl)butan-2-one
CAS Number:
77657-95-5
Molecular Formula:
C10H12O2S
Molecular Weight:
196.2661
IUPAC Name:
4-(benzenesulfinyl)butan-2-one
InChI:
InChI=1S/C10H12O2S/c1-9(11)7-8-13(12)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChI Key:
HNNOPQGAVNGTQE-UHFFFAOYSA-N
SMILES:
CC(=O)CCS(=O)c1ccccc1
NSC Number:
45651
Properties
Complexity:
195
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:
4
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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