1-(3,7-dimethylbenzo[b]thiophen-2-yl)ethanone


Chemical Name: 1-(3,7-dimethylbenzo[b]thiophen-2-yl)ethanone
CAS Number: 6179-06-2
Product Number: AG01DTDA(AG01DTDA)
Synonyms:
MDL No:
Molecular Formula: C12H12OS
Molecular Weight: 204.2881

Identification/Properties


Computed Properties
Molecular Weight:
204.287g/mol
XLogP3:
3.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
204.061g/mol
Monoisotopic Mass:
204.061g/mol
Topological Polar Surface Area:
45.3A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
239
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


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