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932-41-2 | 2,3-Thiophene-dicarbaldehyde
CAS No: 932-41-2 Catalog No: AG003FL7 MDL No:MFCD00209616
Product Description
Catalog Number:
AG003FL7
Chemical Name:
2,3-Thiophene-dicarbaldehyde
CAS Number:
932-41-2
Molecular Formula:
C6H4O2S
Molecular Weight:
140.1598
MDL Number:
MFCD00209616
IUPAC Name:
thiophene-2,3-dicarbaldehyde
InChI:
InChI=1S/C6H4O2S/c7-3-5-1-2-9-6(5)4-8/h1-4H
InChI Key:
WSEJZRIZDQWMKQ-UHFFFAOYSA-N
SMILES:
O=Cc1sccc1C=O
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.993g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.156g/mol
Monoisotopic Mass:
139.993g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| 3-[(2-Formyl-thio-phen-3-yl)(hy-droxy)meth-yl]thio-phene-2-carbaldehyde. | Acta crystallographica. Section E, Structure reports online 20120101 |
| Prediction of genotoxicity of chemical compounds by statistical learning methods. | Chemical research in toxicology 20050601 |
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