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Home > Aldehydes > 676591-80-3
676591-80-3 | Benzaldehyde, 4-[(4-methylphenyl)sulfinyl]-
CAS No: 676591-80-3 Catalog No: AG006458 MDL No:
Product Description
Catalog Number:
AG006458
Chemical Name:
Benzaldehyde, 4-[(4-methylphenyl)sulfinyl]-
CAS Number:
676591-80-3
Molecular Formula:
C14H12O2S
Molecular Weight:
244.3089
IUPAC Name:
4-(4-methylphenyl)sulfinylbenzaldehyde
InChI:
InChI=1S/C14H12O2S/c1-11-2-6-13(7-3-11)17(16)14-8-4-12(10-15)5-9-14/h2-10H,1H3
InChI Key:
YELIWHGBYMEFBJ-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)S(=O)c1ccc(cc1)C
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.056g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.308g/mol
Monoisotopic Mass:
244.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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