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89246-96-8 | Isoxazolo[5,4-c]isoquinoline, 5-ethoxy-6,7,8,9-tetrahydro-1-methyl-
CAS No: 89246-96-8 Catalog No: AG00882X MDL No:
Product Description
Catalog Number:
AG00882X
Chemical Name:
Isoxazolo[5,4-c]isoquinoline, 5-ethoxy-6,7,8,9-tetrahydro-1-methyl-
CAS Number:
89246-96-8
Molecular Formula:
C13H16N2O2
Molecular Weight:
232.2783
IUPAC Name:
5-ethoxy-1-methyl-6,7,8,9-tetrahydro-[1,2]oxazolo[5,4-c]isoquinoline
InChI:
InChI=1S/C13H16N2O2/c1-3-16-12-10-7-5-4-6-9(10)11-8(2)15-17-13(11)14-12/h3-7H2,1-2H3
InChI Key:
CPGJZRYBVXAIEF-UHFFFAOYSA-N
SMILES:
CCOc1nc2onc(c2c2c1CCCC2)C
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.283g/mol
Monoisotopic Mass:
232.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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