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Home > Aldehydes > 651030-52-3
651030-52-3 | Benzaldehyde, 5-(5-hydroxy-1-methoxy-4-isoquinolinyl)-2-methoxy-
CAS No: 651030-52-3 Catalog No: AG006SM0 MDL No:
Product Description
Catalog Number:
AG006SM0
Chemical Name:
Benzaldehyde, 5-(5-hydroxy-1-methoxy-4-isoquinolinyl)-2-methoxy-
CAS Number:
651030-52-3
Molecular Formula:
C18H15NO4
Molecular Weight:
309.3160
IUPAC Name:
5-(5-hydroxy-1-methoxyisoquinolin-4-yl)-2-methoxybenzaldehyde
InChI:
InChI=1S/C18H15NO4/c1-22-16-7-6-11(8-12(16)10-20)14-9-19-18(23-2)13-4-3-5-15(21)17(13)14/h3-10,21H,1-2H3
InChI Key:
OVHVOMGSNAQEEO-UHFFFAOYSA-N
SMILES:
O=Cc1cc(ccc1OC)c1cnc(c2c1c(O)ccc2)OC
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.1g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
309.321g/mol
Monoisotopic Mass:
309.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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