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87978-53-8 | 1-Propanone, 2,2-dimethyl-1-(2-thiazolyl)-
CAS No: 87978-53-8 Catalog No: AG004IEK MDL No:
Product Description
Catalog Number:
AG004IEK
Chemical Name:
1-Propanone, 2,2-dimethyl-1-(2-thiazolyl)-
CAS Number:
87978-53-8
Molecular Formula:
C8H11NOS
Molecular Weight:
169.2440
IUPAC Name:
2,2-dimethyl-1-(1,3-thiazol-2-yl)propan-1-one
InChI:
InChI=1S/C8H11NOS/c1-8(2,3)6(10)7-9-4-5-11-7/h4-5H,1-3H3
InChI Key:
MUPWGQUAXPKPKO-UHFFFAOYSA-N
SMILES:
O=C(C(C)(C)C)c1nccs1
Properties
Complexity:
162
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:
2.4
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