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602269-09-0 | 5H-Isoxazolo[5,4-b]azepine,6,7,8,8a-tetrahydro-3-(4-pyridinyl)-(9CI)
CAS No: 602269-09-0 Catalog No: AG00F7W4 MDL No:
Product Description
Catalog Number:
AG00F7W4
Chemical Name:
5H-Isoxazolo[5,4-b]azepine,6,7,8,8a-tetrahydro-3-(4-pyridinyl)-(9CI)
CAS Number:
602269-09-0
IUPAC Name:
3-pyridin-4-yl-6,7,8,8a-tetrahydro-5H-[1,2]oxazolo[5,4-b]azepine
InChI:
InChI=1S/C12H13N3O/c1-2-6-14-12-10(3-1)11(15-16-12)9-4-7-13-8-5-9/h3-5,7-8,12,14H,1-2,6H2
InChI Key:
HKIKRMXDEHPFRV-UHFFFAOYSA-N
Properties
Complexity:
318
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:
1.2
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