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120507-64-4

120507-64-4 | 1-Propanone, 1-(3,5-dimethyl-4-isothiazolyl)-

CAS No: 120507-64-4 Catalog No: AG007PXG MDL No:

Product Description

Catalog Number:
AG007PXG
Chemical Name:
1-Propanone, 1-(3,5-dimethyl-4-isothiazolyl)-
CAS Number:
120507-64-4
Molecular Formula:
C8H11NOS
Molecular Weight:
169.2440
IUPAC Name:
1-(3,5-dimethyl-1,2-thiazol-4-yl)propan-1-one
InChI:
InChI=1S/C8H11NOS/c1-4-7(10)8-5(2)9-11-6(8)3/h4H2,1-3H3
InChI Key:
JOFLMZUYJHXWLZ-UHFFFAOYSA-N
SMILES:
CCC(=O)c1c(C)nsc1C

Properties

Complexity:
160  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.056g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.242g/mol
Monoisotopic Mass:
169.056g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

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