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13154-68-2 | Acetaldehyde, 2-(methylsulfonyl)-
CAS No: 13154-68-2 Catalog No: AG000ZDY MDL No:
Product Description
Catalog Number:
AG000ZDY
Chemical Name:
Acetaldehyde, 2-(methylsulfonyl)-
CAS Number:
13154-68-2
Molecular Formula:
C3H6O3S
Molecular Weight:
122.1429
IUPAC Name:
2-methylsulfonylacetaldehyde
InChI:
InChI=1S/C3H6O3S/c1-7(5,6)3-2-4/h2H,3H2,1H3
InChI Key:
QAKXPQSVKFRFHD-UHFFFAOYSA-N
SMILES:
O=CCS(=O)(=O)C
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
122.004g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
122.138g/mol
Monoisotopic Mass:
122.004g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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