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13781-67-4 | 3-Thiopheneethanol
CAS No: 13781-67-4 Catalog No: AG0013VL MDL No:MFCD00009766
Product Description
Catalog Number:
AG0013VL
Chemical Name:
3-Thiopheneethanol
CAS Number:
13781-67-4
Molecular Formula:
C6H8OS
Molecular Weight:
128.1921
MDL Number:
MFCD00009766
IUPAC Name:
2-thiophen-3-ylethanol
InChI:
InChI=1S/C6H8OS/c7-3-1-6-2-4-8-5-6/h2,4-5,7H,1,3H2
InChI Key:
YYPNNBPPDFTQFX-UHFFFAOYSA-N
SMILES:
OCCc1cscc1
EC Number:
237-434-7
Properties
Complexity:
65.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.03g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
128.189g/mol
Monoisotopic Mass:
128.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| In situ ESR-UV-Vis-NIR spectroelectrochemical study of the p-doping of poly[2-(3-thienyl)ethyl acetate] and its hydrolyzed derivatives. | Physical chemistry chemical physics : PCCP 20090814 |
| Prediction of genotoxicity of chemical compounds by statistical learning methods. | Chemical research in toxicology 20050601 |
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