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68615-87-2 | 8H-Isoxazolo[5,4-c]azepin-8-one,4,5,6,7-tetrahydro-(9CI)
CAS No: 68615-87-2 Catalog No: AG00FRW0 MDL No:
Product Description
Catalog Number:
AG00FRW0
Chemical Name:
8H-Isoxazolo[5,4-c]azepin-8-one,4,5,6,7-tetrahydro-(9CI)
CAS Number:
68615-87-2
IUPAC Name:
4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]azepin-8-one
InChI:
InChI=1S/C7H8N2O2/c10-7-6-5(4-9-11-6)2-1-3-8-7/h4H,1-3H2,(H,8,10)
InChI Key:
GMOCSYPZSWEKSC-UHFFFAOYSA-N
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.059g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
152.153g/mol
Monoisotopic Mass:
152.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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