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1468-83-3 | Ethanone, 1-(3-thienyl)-
CAS No: 1468-83-3 Catalog No: AG001ECM MDL No:MFCD00005468
Product Description
Catalog Number:
AG001ECM
Chemical Name:
Ethanone, 1-(3-thienyl)-
CAS Number:
1468-83-3
Molecular Formula:
C6H6OS
Molecular Weight:
126.1762
MDL Number:
MFCD00005468
IUPAC Name:
1-thiophen-3-ylethanone
InChI:
InChI=1S/C6H6OS/c1-5(7)6-2-3-8-4-6/h2-4H,1H3
InChI Key:
RNIDWJDZNNVFDY-UHFFFAOYSA-N
SMILES:
CC(=O)c1cscc1
EC Number:
215-996-4
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.014g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.173g/mol
Monoisotopic Mass:
126.014g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| 1-(Thiophen-3-yl)ethanone. | Acta crystallographica. Section C, Crystal structure communications 20110601 |
| Transition metal catalyzed manipulation of non-polar carbon-hydrogen bonds for synthetic purpose. | Proceedings of the Japan Academy. Series B, Physical and biological sciences 20110511 |
| A poly(3-acetylthiophene) modified glassy carbon electrode for selective voltammetric measurement of uric acid in urine sample. | Chemical & pharmaceutical bulletin 20080301 |
| Prediction of genotoxicity of chemical compounds by statistical learning methods. | Chemical research in toxicology 20050601 |
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