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603066-94-0 | 5H-Isoxazolo[5,4-b]azepine,6,7,8,8a-tetrahydro-3-(1-methyl-4-piperidinyl)-(9CI)
CAS No: 603066-94-0 Catalog No: AG00EXLJ MDL No:
Product Description
Catalog Number:
AG00EXLJ
Chemical Name:
5H-Isoxazolo[5,4-b]azepine,6,7,8,8a-tetrahydro-3-(1-methyl-4-piperidinyl)-(9CI)
CAS Number:
603066-94-0
IUPAC Name:
3-(1-methylpiperidin-4-yl)-6,7,8,8a-tetrahydro-5H-[1,2]oxazolo[5,4-b]azepine
InChI:
InChI=1S/C13H21N3O/c1-16-8-5-10(6-9-16)12-11-4-2-3-7-14-13(11)17-15-12/h4,10,13-14H,2-3,5-9H2,1H3
InChI Key:
VKETYIRKRDHWGJ-UHFFFAOYSA-N
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.168g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.331g/mol
Monoisotopic Mass:
235.168g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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