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54293-58-2 | 1-(1,3-Benzodioxol-5-ylmethyl)-6-methoxyisoquinolin-7-ol
CAS No: 54293-58-2 Catalog No: AG00DOCM MDL No:
Product Description
Catalog Number:
AG00DOCM
Chemical Name:
1-(1,3-Benzodioxol-5-ylmethyl)-6-methoxyisoquinolin-7-ol
CAS Number:
54293-58-2
IUPAC Name:
1-(1,3-benzodioxol-5-ylmethyl)-6-methoxyisoquinolin-7-ol
InChI:
InChI=1S/C18H15NO4/c1-21-17-8-12-4-5-19-14(13(12)9-15(17)20)6-11-2-3-16-18(7-11)23-10-22-16/h2-5,7-9,20H,6,10H2,1H3
InChI Key:
LIWOSCPZJOZTSN-UHFFFAOYSA-N
Properties
Complexity:
407
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:
3
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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