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603066-70-2 | 5H-Isoxazolo[5,4-b]azepine,6,7,8,8a-tetrahydro-3-pyrazinyl-(9CI)
CAS No: 603066-70-2 Catalog No: AG00F7UH MDL No:
Product Description
Catalog Number:
AG00F7UH
Chemical Name:
5H-Isoxazolo[5,4-b]azepine,6,7,8,8a-tetrahydro-3-pyrazinyl-(9CI)
CAS Number:
603066-70-2
IUPAC Name:
3-pyrazin-2-yl-6,7,8,8a-tetrahydro-5H-[1,2]oxazolo[5,4-b]azepine
InChI:
InChI=1S/C11H12N4O/c1-2-4-14-11-8(3-1)10(15-16-11)9-7-12-5-6-13-9/h3,5-7,11,14H,1-2,4H2
InChI Key:
WZNCNVTZCNUUQD-UHFFFAOYSA-N
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.101g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.244g/mol
Monoisotopic Mass:
216.101g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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