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88786-26-9 | Isoxazolo[5,4-c]isoquinolin-5(4H)-one, 6,7,8,9-tetrahydro-1-phenyl-
CAS No: 88786-26-9 Catalog No: AG004B60 MDL No:
Product Description
Catalog Number:
AG004B60
Chemical Name:
Isoxazolo[5,4-c]isoquinolin-5(4H)-one, 6,7,8,9-tetrahydro-1-phenyl-
CAS Number:
88786-26-9
Molecular Formula:
C16H14N2O2
Molecular Weight:
266.2946
IUPAC Name:
1-phenyl-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-c]isoquinolin-5-one
InChI:
InChI=1S/C16H14N2O2/c19-15-12-9-5-4-8-11(12)13-14(18-20-16(13)17-15)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,17,19)
InChI Key:
IFAFDSUPFJFAOU-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2onc(c2c2c1CCCC2)c1ccccc1
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.106g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.3g/mol
Monoisotopic Mass:
266.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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