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110429-25-9 | 2-Quinolinecarboxaldehyde, 3-(phenylmethoxy)-
CAS No: 110429-25-9 Catalog No: AG007D80 MDL No:
Product Description
Catalog Number:
AG007D80
Chemical Name:
2-Quinolinecarboxaldehyde, 3-(phenylmethoxy)-
CAS Number:
110429-25-9
Molecular Formula:
C17H13NO2
Molecular Weight:
263.2906
IUPAC Name:
3-phenylmethoxyquinoline-2-carbaldehyde
InChI:
InChI=1S/C17H13NO2/c19-11-16-17(20-12-13-6-2-1-3-7-13)10-14-8-4-5-9-15(14)18-16/h1-11H,12H2
InChI Key:
XJVJSGLKOFPGBN-UHFFFAOYSA-N
SMILES:
O=Cc1nc2ccccc2cc1OCc1ccccc1
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.095g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.296g/mol
Monoisotopic Mass:
263.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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