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Home > Aldehydes > 175021-90-6
175021-90-6 | Benzaldehyde, 3,4-bis[[(4-methylphenyl)sulfonyl]oxy]-
CAS No: 175021-90-6 Catalog No: AG00203Y MDL No:
Product Description
Catalog Number:
AG00203Y
Chemical Name:
Benzaldehyde, 3,4-bis[[(4-methylphenyl)sulfonyl]oxy]-
CAS Number:
175021-90-6
Molecular Formula:
C21H18O7S2
Molecular Weight:
446.4934
IUPAC Name:
[4-formyl-2-(4-methylphenyl)sulfonyloxyphenyl] 4-methylbenzenesulfonate
InChI:
InChI=1S/C21H18O7S2/c1-15-3-8-18(9-4-15)29(23,24)27-20-12-7-17(14-22)13-21(20)28-30(25,26)19-10-5-16(2)6-11-19/h3-14H,1-2H3
InChI Key:
PDMLXEUFIJDWRZ-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)OS(=O)(=O)c1ccc(cc1)C)OS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
765
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
446.049g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
446.488g/mol
Monoisotopic Mass:
446.049g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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