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6739-66-8 | Acetaldehyde, [(4-methylphenyl)sulfonyl]-
CAS No: 6739-66-8 Catalog No: AG005OQE MDL No:
Product Description
Catalog Number:
AG005OQE
Chemical Name:
Acetaldehyde, [(4-methylphenyl)sulfonyl]-
CAS Number:
6739-66-8
Molecular Formula:
C9H10O3S
Molecular Weight:
198.2389
IUPAC Name:
2-(4-methylphenyl)sulfonylacetaldehyde
InChI:
InChI=1S/C9H10O3S/c1-8-2-4-9(5-3-8)13(11,12)7-6-10/h2-6H,7H2,1H3
InChI Key:
ZUXWOUUBOVROPH-UHFFFAOYSA-N
SMILES:
O=CCS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.035g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.236g/mol
Monoisotopic Mass:
198.035g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| A novel and expedient approach to new thiazoles, thiazolo[3,2-a]pyridines, dihydrothiophenes, and hydrazones incorporating thieno[2,3-b]thiophene moiety. | International journal of molecular sciences 20120101 |
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