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80459-46-7 | Benzaldehyde, 3-[[(4-methylphenyl)sulfonyl]oxy]-
CAS No: 80459-46-7 Catalog No: AG005LCC MDL No:MFCD01366111
Product Description
Catalog Number:
AG005LCC
Chemical Name:
Benzaldehyde, 3-[[(4-methylphenyl)sulfonyl]oxy]-
CAS Number:
80459-46-7
Molecular Formula:
C14H12O4S
Molecular Weight:
276.3077
MDL Number:
MFCD01366111
IUPAC Name:
(3-formylphenyl) 4-methylbenzenesulfonate
InChI:
InChI=1S/C14H12O4S/c1-11-5-7-14(8-6-11)19(16,17)18-13-4-2-3-12(9-13)10-15/h2-10H,1H3
InChI Key:
BZXNAHUPQGDCMT-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)OS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
390
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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