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602269-05-6 | 5H-Isoxazolo[5,4-b]azepine,6,7,8,8a-tetrahydro-3-(2-pyridinyl)-(9CI)
CAS No: 602269-05-6 Catalog No: AG00EXLK MDL No:
Product Description
Catalog Number:
AG00EXLK
Chemical Name:
5H-Isoxazolo[5,4-b]azepine,6,7,8,8a-tetrahydro-3-(2-pyridinyl)-(9CI)
CAS Number:
602269-05-6
IUPAC Name:
3-pyridin-2-yl-6,7,8,8a-tetrahydro-5H-[1,2]oxazolo[5,4-b]azepine
InChI:
InChI=1S/C12H13N3O/c1-3-8-14-12-9(5-1)11(15-16-12)10-6-2-4-7-13-10/h2,4-7,12,14H,1,3,8H2
InChI Key:
CSOYUEIWLDLWJS-UHFFFAOYSA-N
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.256g/mol
Monoisotopic Mass:
215.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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