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350028-07-8 | 5,9-Methano-1H-[1,3]dioxocino[5,6-c]isoxazole(9CI)
CAS No: 350028-07-8 Catalog No: AG00D52W MDL No:
Product Description
Catalog Number:
AG00D52W
Chemical Name:
5,9-Methano-1H-[1,3]dioxocino[5,6-c]isoxazole(9CI)
CAS Number:
350028-07-8
IUPAC Name:
4,9,11-trioxa-3-azatricyclo[6.3.1.02,6]dodeca-1,5,7-triene
InChI:
InChI=1S/C8H7NO3/c1-5-3-12-9-8(5)7-2-6(1)10-4-11-7/h1,3,9H,2,4H2
InChI Key:
WHXDTFZOROKWHP-UHFFFAOYSA-N
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.043g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
165.148g/mol
Monoisotopic Mass:
165.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
39.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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