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27629-48-7 | Isoxazolo[4,3-f]quinoxaline (8CI,9CI)
CAS No: 27629-48-7 Catalog No: AG002UAK MDL No:
Product Description
Catalog Number:
AG002UAK
Chemical Name:
Isoxazolo[4,3-f]quinoxaline (8CI,9CI)
CAS Number:
27629-48-7
Molecular Formula:
C9H5N3O
Molecular Weight:
171.1555
IUPAC Name:
[1,2]oxazolo[4,3-f]quinoxaline
InChI:
InChI=1S/C9H5N3O/c1-2-8-9(11-4-3-10-8)6-5-13-12-7(1)6/h1-5H
InChI Key:
JWYUEPRVYWDZEQ-UHFFFAOYSA-N
SMILES:
c1cnc2c(n1)c1conc1cc2
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.043g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.159g/mol
Monoisotopic Mass:
171.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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