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Home > Aldehydes > 651331-50-9
651331-50-9 | 1H-Indole-3-carboxaldehyde, 5-methoxy-1-[(4-methoxyphenyl)sulfonyl]-
CAS No: 651331-50-9 Catalog No: AG006QLF MDL No:MFCD26385139
Product Description
Catalog Number:
AG006QLF
Chemical Name:
1H-Indole-3-carboxaldehyde, 5-methoxy-1-[(4-methoxyphenyl)sulfonyl]-
CAS Number:
651331-50-9
Molecular Formula:
C17H15NO5S
Molecular Weight:
345.3697
MDL Number:
MFCD26385139
IUPAC Name:
5-methoxy-1-(4-methoxyphenyl)sulfonylindole-3-carbaldehyde
InChI:
InChI=1S/C17H15NO5S/c1-22-13-3-6-15(7-4-13)24(20,21)18-10-12(11-19)16-9-14(23-2)5-8-17(16)18/h3-11H,1-2H3
InChI Key:
SDBROVTUPVJMEY-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)S(=O)(=O)n1cc(c2c1ccc(c2)OC)C=O
Properties
Complexity:
538
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.067g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
345.369g/mol
Monoisotopic Mass:
345.067g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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