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113701-60-3 | Isoxazolo[5,4-c]isoquinoline, 5-butoxy-6,7,8,9-tetrahydro-1-methyl-
CAS No: 113701-60-3 Catalog No: AG0009DK MDL No:
Product Description
Catalog Number:
AG0009DK
Chemical Name:
Isoxazolo[5,4-c]isoquinoline, 5-butoxy-6,7,8,9-tetrahydro-1-methyl-
CAS Number:
113701-60-3
Molecular Formula:
C15H20N2O2
Molecular Weight:
260.3315
IUPAC Name:
5-butoxy-1-methyl-6,7,8,9-tetrahydro-[1,2]oxazolo[5,4-c]isoquinoline
InChI:
InChI=1S/C15H20N2O2/c1-3-4-9-18-14-12-8-6-5-7-11(12)13-10(2)17-19-15(13)16-14/h3-9H2,1-2H3
InChI Key:
CUFKZZBGUCNQSB-UHFFFAOYSA-N
SMILES:
CCCCOc1nc2onc(c2c2c1CCCC2)C
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.152g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.337g/mol
Monoisotopic Mass:
260.152g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
48.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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