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234-85-5 | Oxazolo[2,3-a]isoquinolinium (8CI,9CI)
CAS No: 234-85-5 Catalog No: AG002N3W MDL No:
Product Description
Catalog Number:
AG002N3W
Chemical Name:
Oxazolo[2,3-a]isoquinolinium (8CI,9CI)
CAS Number:
234-85-5
Molecular Formula:
C11H8NO+
Molecular Weight:
170.1873
IUPAC Name:
[1,3]oxazolo[2,3-a]isoquinolin-4-ium
InChI:
InChI=1S/C11H8NO/c1-2-4-10-9(3-1)5-6-12-7-8-13-11(10)12/h1-8H/q+1
InChI Key:
NOXFSSJOOATHOY-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)c1occ[n+]1cc2
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.061g/mol
Formal Charge:
1
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.191g/mol
Monoisotopic Mass:
170.061g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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