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Home > Aldehydes > 246224-09-9
246224-09-9 | Benzaldehyde, 3-methoxy-4-[[(4-methylphenyl)sulfonyl]oxy]-
CAS No: 246224-09-9 Catalog No: AG002OTH MDL No:MFCD01935657
Product Description
Catalog Number:
AG002OTH
Chemical Name:
Benzaldehyde, 3-methoxy-4-[[(4-methylphenyl)sulfonyl]oxy]-
CAS Number:
246224-09-9
Molecular Formula:
C15H14O5S
Molecular Weight:
306.3337
MDL Number:
MFCD01935657
IUPAC Name:
(4-formyl-2-methoxyphenyl) 4-methylbenzenesulfonate
InChI:
InChI=1S/C15H14O5S/c1-11-3-6-13(7-4-11)21(17,18)20-14-8-5-12(10-16)9-15(14)19-2/h3-10H,1-2H3
InChI Key:
HEVNIQOBWMMUIH-UHFFFAOYSA-N
SMILES:
COc1cc(C=O)ccc1OS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.056g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.332g/mol
Monoisotopic Mass:
306.056g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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