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88786-51-0 | Isoxazolo[5,4-c]isoquinolin-5(4H)-one, 6,7,8,9-tetrahydro-1,4-dimethyl-
CAS No: 88786-51-0 Catalog No: AG008B46 MDL No:
Product Description
Catalog Number:
AG008B46
Chemical Name:
Isoxazolo[5,4-c]isoquinolin-5(4H)-one, 6,7,8,9-tetrahydro-1,4-dimethyl-
CAS Number:
88786-51-0
Molecular Formula:
C12H14N2O2
Molecular Weight:
218.2518
IUPAC Name:
1,4-dimethyl-6,7,8,9-tetrahydro-[1,2]oxazolo[5,4-c]isoquinolin-5-one
InChI:
InChI=1S/C12H14N2O2/c1-7-10-8-5-3-4-6-9(8)11(15)14(2)12(10)16-13-7/h3-6H2,1-2H3
InChI Key:
HIKVVYCGKDOLCN-UHFFFAOYSA-N
SMILES:
Cn1c(=O)c2CCCCc2c2c1onc2C
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.256g/mol
Monoisotopic Mass:
218.106g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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