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89246-98-0 | Isoxazolo[5,4-c]isoquinoline, 5-(hexyloxy)-6,7,8,9-tetrahydro-1-methyl-
CAS No: 89246-98-0 Catalog No: AG0042IK MDL No:
Product Description
Catalog Number:
AG0042IK
Chemical Name:
Isoxazolo[5,4-c]isoquinoline, 5-(hexyloxy)-6,7,8,9-tetrahydro-1-methyl-
CAS Number:
89246-98-0
Molecular Formula:
C17H24N2O2
Molecular Weight:
288.3847
IUPAC Name:
5-hexoxy-1-methyl-6,7,8,9-tetrahydro-[1,2]oxazolo[5,4-c]isoquinoline
InChI:
InChI=1S/C17H24N2O2/c1-3-4-5-8-11-20-16-14-10-7-6-9-13(14)15-12(2)19-21-17(15)18-16/h3-11H2,1-2H3
InChI Key:
CBCAYUFYANHOKH-UHFFFAOYSA-N
SMILES:
CCCCCCOc1nc2onc(c2c2c1CCCC2)C
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.184g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.391g/mol
Monoisotopic Mass:
288.184g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
48.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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