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863990-64-1 | 3-(4-METHANESULFONYLPHENYL)BENZALDEHYDE
CAS No: 863990-64-1 Catalog No: AG004O92 MDL No:
Product Description
Catalog Number:
AG004O92
Chemical Name:
3-(4-METHANESULFONYLPHENYL)BENZALDEHYDE
CAS Number:
863990-64-1
Molecular Formula:
C14H12O3S
Molecular Weight:
260.3083
IUPAC Name:
3-(4-methylsulfonylphenyl)benzaldehyde
InChI:
InChI=1S/C14H12O3S/c1-18(16,17)14-7-5-12(6-8-14)13-4-2-3-11(9-13)10-15/h2-10H,1H3
InChI Key:
KZTQKDJPHLAEFT-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)c1ccc(cc1)S(=O)(=O)C
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.051g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.307g/mol
Monoisotopic Mass:
260.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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