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602269-37-4 | 5H-Isoxazolo[5,4-b]azepine,6,7,8,8a-tetrahydro-3-(1-piperidinylmethyl)-(9CI)
CAS No: 602269-37-4 Catalog No: AG00F7W7 MDL No:
Product Description
Catalog Number:
AG00F7W7
Chemical Name:
5H-Isoxazolo[5,4-b]azepine,6,7,8,8a-tetrahydro-3-(1-piperidinylmethyl)-(9CI)
CAS Number:
602269-37-4
IUPAC Name:
3-(piperidin-1-ylmethyl)-6,7,8,8a-tetrahydro-5H-[1,2]oxazolo[5,4-b]azepine
InChI:
InChI=1S/C13H21N3O/c1-4-8-16(9-5-1)10-12-11-6-2-3-7-14-13(11)17-15-12/h6,13-14H,1-5,7-10H2
InChI Key:
ICSFKOXXHZDCLU-UHFFFAOYSA-N
Properties
Complexity:
332
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:
2
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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