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Home > Aldehydes > 114588-96-4
114588-96-4 | Benzaldehyde, 4-[2-[4-(methylsulfonyl)phenyl]ethenyl]-
CAS No: 114588-96-4 Catalog No: AG000ER4 MDL No:
Product Description
Catalog Number:
AG000ER4
Chemical Name:
Benzaldehyde, 4-[2-[4-(methylsulfonyl)phenyl]ethenyl]-
CAS Number:
114588-96-4
Molecular Formula:
C16H14O3S
Molecular Weight:
286.3456
IUPAC Name:
4-[2-(4-methylsulfonylphenyl)ethenyl]benzaldehyde
InChI:
InChI=1S/C16H14O3S/c1-20(18,19)16-10-8-14(9-11-16)3-2-13-4-6-15(12-17)7-5-13/h2-12H,1H3
InChI Key:
ZKBIPKKVVLJXEU-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)C=Cc1ccc(cc1)S(=O)(=O)C
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.066g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.345g/mol
Monoisotopic Mass:
286.066g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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