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550-73-2 | 7-Methyl-5-piperonyl-1,3-dioxolo[4,5-g]isoquinoline
CAS No: 550-73-2 Catalog No: AG00E0B0 MDL No:
Product Description
Catalog Number:
AG00E0B0
Chemical Name:
7-Methyl-5-piperonyl-1,3-dioxolo[4,5-g]isoquinoline
CAS Number:
550-73-2
IUPAC Name:
5-(1,3-benzodioxol-5-ylmethyl)-7-methyl-[1,3]dioxolo[4,5-g]isoquinoline
InChI:
InChI=1S/C19H15NO4/c1-11-4-13-7-18-19(24-10-23-18)8-14(13)15(20-11)5-12-2-3-16-17(6-12)22-9-21-16/h2-4,6-8H,5,9-10H2,1H3
InChI Key:
LLEBCPBJQVCNAD-UHFFFAOYSA-N
UNII:
BQ4UIA304Y
Properties
Complexity:
461
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:
2
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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