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603067-05-6 | 5H-Isoxazolo[5,4-b]azepine,6,7,8,8a-tetrahydro-3-(2-pyridinylmethyl)-(9CI)
CAS No: 603067-05-6 Catalog No: AG00EXLC MDL No:
Product Description
Catalog Number:
AG00EXLC
Chemical Name:
5H-Isoxazolo[5,4-b]azepine,6,7,8,8a-tetrahydro-3-(2-pyridinylmethyl)-(9CI)
CAS Number:
603067-05-6
IUPAC Name:
3-(pyridin-2-ylmethyl)-6,7,8,8a-tetrahydro-5H-[1,2]oxazolo[5,4-b]azepine
InChI:
InChI=1S/C13H15N3O/c1-3-7-14-10(5-1)9-12-11-6-2-4-8-15-13(11)17-16-12/h1,3,5-7,13,15H,2,4,8-9H2
InChI Key:
VIMVIGAUAAPCNK-UHFFFAOYSA-N
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.122g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.283g/mol
Monoisotopic Mass:
229.122g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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