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80459-48-9 | Benzaldehyde, 4-[[(4-methylphenyl)sulfonyl]oxy]-
CAS No: 80459-48-9 Catalog No: AG0059MW MDL No:MFCD00686443
Product Description
Catalog Number:
AG0059MW
Chemical Name:
Benzaldehyde, 4-[[(4-methylphenyl)sulfonyl]oxy]-
CAS Number:
80459-48-9
Molecular Formula:
C14H12O4S
Molecular Weight:
276.3077
MDL Number:
MFCD00686443
IUPAC Name:
(4-formylphenyl) 4-methylbenzenesulfonate
InChI:
InChI=1S/C14H12O4S/c1-11-2-8-14(9-3-11)19(16,17)18-13-6-4-12(10-15)5-7-13/h2-10H,1H3
InChI Key:
UPOKXWYTSBUETD-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)OS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.046g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.306g/mol
Monoisotopic Mass:
276.046g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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