Ethanone, 1-(3-thienyl)-


Chemical Name: Ethanone, 1-(3-thienyl)-
CAS Number: 1468-83-3
Product Number: AG001ECM(AGN-PC-0JKC3S)
Synonyms:
MDL No:
Molecular Formula: C6H6OS
Molecular Weight: 126.1762

Identification/Properties


Computed Properties
Molecular Weight:
126.173g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
126.014g/mol
Monoisotopic Mass:
126.014g/mol
Topological Polar Surface Area:
45.3A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
101
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

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NMR Spectrum


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