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Home > Aldehydes > 651030-47-6
651030-47-6 | Benzaldehyde, 4-[5-(benzoyloxy)-1-methoxy-4-isoquinolinyl]-
CAS No: 651030-47-6 Catalog No: AG006SM1 MDL No:
Product Description
Catalog Number:
AG006SM1
Chemical Name:
Benzaldehyde, 4-[5-(benzoyloxy)-1-methoxy-4-isoquinolinyl]-
CAS Number:
651030-47-6
Molecular Formula:
C24H17NO4
Molecular Weight:
383.3961
IUPAC Name:
[4-(4-formylphenyl)-1-methoxyisoquinolin-5-yl] benzoate
InChI:
InChI=1S/C24H17NO4/c1-28-23-19-8-5-9-21(29-24(27)18-6-3-2-4-7-18)22(19)20(14-25-23)17-12-10-16(15-26)11-13-17/h2-15H,1H3
InChI Key:
FXLXCXNLUYJEMM-UHFFFAOYSA-N
SMILES:
COc1ncc(c2c1cccc2OC(=O)c1ccccc1)c1ccc(cc1)C=O
Properties
Complexity:
553
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.116g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
383.403g/mol
Monoisotopic Mass:
383.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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