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53658-58-5 | 2H-Isoxazolo[4,5-d]azepin-3(4H)-one,5,6,7,8-tetrahydro-(9CI)
CAS No: 53658-58-5 Catalog No: AG00E3PI MDL No:
Product Description
Catalog Number:
AG00E3PI
Chemical Name:
2H-Isoxazolo[4,5-d]azepin-3(4H)-one,5,6,7,8-tetrahydro-(9CI)
CAS Number:
53658-58-5
IUPAC Name:
5,6,7,8-tetrahydro-4H-[1,2]oxazolo[4,5-d]azepin-3-one
InChI:
InChI=1S/C7H10N2O2/c10-7-5-1-3-8-4-2-6(5)11-9-7/h8H,1-4H2,(H,9,10)
InChI Key:
KHTRGFVHYPWHIZ-UHFFFAOYSA-N
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.074g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
154.169g/mol
Monoisotopic Mass:
154.074g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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