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Home > Aldehydes > 206768-21-0
206768-21-0 | 2-Thiophenecarboxaldehyde, 5-ethynyl-
CAS No: 206768-21-0 Catalog No: AG002IO3 MDL No:MFCD16619667
Product Description
Catalog Number:
AG002IO3
Chemical Name:
2-Thiophenecarboxaldehyde, 5-ethynyl-
CAS Number:
206768-21-0
Molecular Formula:
C7H4OS
Molecular Weight:
136.1711
MDL Number:
MFCD16619667
IUPAC Name:
5-ethynylthiophene-2-carbaldehyde
InChI:
InChI=1S/C7H4OS/c1-2-6-3-4-7(5-8)9-6/h1,3-5H
InChI Key:
AOLOQUDYRSUFBE-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(s1)C#C
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.998g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.168g/mol
Monoisotopic Mass:
135.998g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Electronic modulation of hyperpolarizable (porphinato)zinc(II) chromophores featuring ethynylphenyl-, ethynylthiophenyl-, ethynylthiazolyl-, and ethynylbenzothiazolyl-based electron-donating and -accepting moieties. | Inorganic chemistry 20061127 |
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