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Home > Aldehydes > 346630-03-3
346630-03-3 | 3-(6-(2-(methylsulfonyl)propan-2-yl)quinolin-8-yl)benzaldehyde
CAS No: 346630-03-3 Catalog No: AG01DFPK MDL No:MFCD20270211
Product Description
Catalog Number:
AG01DFPK
Chemical Name:
3-(6-(2-(methylsulfonyl)propan-2-yl)quinolin-8-yl)benzaldehyde
CAS Number:
346630-03-3
Molecular Formula:
C20H19NO3S
Molecular Weight:
353.4348
MDL Number:
MFCD20270211
IUPAC Name:
3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]benzaldehyde
InChI:
InChI=1S/C20H19NO3S/c1-20(2,25(3,23)24)17-11-16-8-5-9-21-19(16)18(12-17)15-7-4-6-14(10-15)13-22/h4-13H,1-3H3
InChI Key:
GBMDSHJGMHBUEM-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)c1cc(cc2c1nccc2)C(S(=O)(=O)C)(C)C
Properties
Complexity:
580
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.109g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
353.436g/mol
Monoisotopic Mass:
353.109g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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