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174125-48-5 | 3H-Isoxazolo[4,3
CAS No: 174125-48-5 Catalog No: AG00BA9I MDL No:
Product Description
Catalog Number:
AG00BA9I
Chemical Name:
3H-Isoxazolo[4,3
CAS Number:
174125-48-5
IUPAC Name:
4-oxa-5,10,15-triazatetracyclo[7.6.0.02,6.010,14]pentadeca-1(15),2,6,8,11,13-hexaene
InChI:
InChI=1S/C11H7N3O/c1-2-10-12-11-7-6-15-13-8(7)3-4-9(11)14(10)5-1/h1-6,13H
InChI Key:
YMHHRSQAOPRGGT-UHFFFAOYSA-N
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.059g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.197g/mol
Monoisotopic Mass:
197.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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