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Home > Aldehydes > 656233-84-0
656233-84-0 | Benzaldehyde, 3-[5-(acetyloxy)-1-methoxy-4-isoquinolinyl]-
CAS No: 656233-84-0 Catalog No: AG006QIX MDL No:
Product Description
Catalog Number:
AG006QIX
Chemical Name:
Benzaldehyde, 3-[5-(acetyloxy)-1-methoxy-4-isoquinolinyl]-
CAS Number:
656233-84-0
Molecular Formula:
C19H15NO4
Molecular Weight:
321.3267
IUPAC Name:
[4-(3-formylphenyl)-1-methoxyisoquinolin-5-yl] acetate
InChI:
InChI=1S/C19H15NO4/c1-12(22)24-17-8-4-7-15-18(17)16(10-20-19(15)23-2)14-6-3-5-13(9-14)11-21/h3-11H,1-2H3
InChI Key:
OCSLAMLIGLSMNV-UHFFFAOYSA-N
SMILES:
COc1ncc(c2c1cccc2OC(=O)C)c1cccc(c1)C=O
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.1g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.332g/mol
Monoisotopic Mass:
321.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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