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602269-10-3

602269-10-3 | 5H-Isoxazolo[5,4-b]azepine,6,7,8,8a-tetrahydro-3-(3-pyridinyl)-(9CI)

CAS No: 602269-10-3 Catalog No: AG00EXLG MDL No:

Product Description

Catalog Number:
AG00EXLG
Chemical Name:
5H-Isoxazolo[5,4-b]azepine,6,7,8,8a-tetrahydro-3-(3-pyridinyl)-(9CI)
CAS Number:
602269-10-3
IUPAC Name:
3-pyridin-3-yl-6,7,8,8a-tetrahydro-5H-[1,2]oxazolo[5,4-b]azepine
InChI:
InChI=1S/C12H13N3O/c1-2-7-14-12-10(5-1)11(15-16-12)9-4-3-6-13-8-9/h3-6,8,12,14H,1-2,7H2
InChI Key:
DYIMPOXWSZIISA-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:
1.2  

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