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Home > Indoles and Oxindole > 200061-92-3
200061-92-3 | 1,3,4-Oxadiazol-2(3H)-one, 5-(5-methoxy-1H-indol-2-yl)-
CAS No: 200061-92-3 Catalog No: AG01DO94 MDL No:MFCD09991832
Product Description
Catalog Number:
AG01DO94
Chemical Name:
1,3,4-Oxadiazol-2(3H)-one, 5-(5-methoxy-1H-indol-2-yl)-
CAS Number:
200061-92-3
Molecular Formula:
C11H9N3O3
Molecular Weight:
231.2075
MDL Number:
MFCD09991832
IUPAC Name:
5-(5-methoxy-1H-indol-2-yl)-3H-1,3,4-oxadiazol-2-one
InChI:
InChI=1S/C11H9N3O3/c1-16-7-2-3-8-6(4-7)5-9(12-8)10-13-14-11(15)17-10/h2-5,12H,1H3,(H,14,15)
InChI Key:
FZSOFYFSZJXGFA-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)cc([nH]2)c1n[nH]c(=O)o1
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.064g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.211g/mol
Monoisotopic Mass:
231.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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