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28589-99-3 | Benzofuro[3,2-c]isoxazole (8CI,9CI)
CAS No: 28589-99-3 Catalog No: AG002VRJ MDL No:
Product Description
Catalog Number:
AG002VRJ
Chemical Name:
Benzofuro[3,2-c]isoxazole (8CI,9CI)
CAS Number:
28589-99-3
Molecular Formula:
C9H5NO2
Molecular Weight:
159.1415
IUPAC Name:
[1]benzofuro[3,2-c][1,2]oxazole
InChI:
InChI=1S/C9H5NO2/c1-2-4-7-6(3-1)9-8(12-7)5-11-10-9/h1-5H
InChI Key:
QDVLLWHENVKYMZ-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)c1nocc1o2
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.032g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.144g/mol
Monoisotopic Mass:
159.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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