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88786-10-1 | Isoxazolo[5,4-c]isoquinolin-5(4H)-one, 6,7,8,9-tetrahydro-1-methyl-
CAS No: 88786-10-1 Catalog No: AG004CYS MDL No:
Product Description
Catalog Number:
AG004CYS
Chemical Name:
Isoxazolo[5,4-c]isoquinolin-5(4H)-one, 6,7,8,9-tetrahydro-1-methyl-
CAS Number:
88786-10-1
Molecular Formula:
C11H12N2O2
Molecular Weight:
204.2252
IUPAC Name:
1-methyl-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-c]isoquinolin-5-one
InChI:
InChI=1S/C11H12N2O2/c1-6-9-7-4-2-3-5-8(7)10(14)12-11(9)15-13-6/h2-5H2,1H3,(H,12,14)
InChI Key:
VSAOEDMHYGBKGI-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2onc(c2c2c1CCCC2)C
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.229g/mol
Monoisotopic Mass:
204.09g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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