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28864-61-1 | Ethanone, 1-(4H-[1,2,5]oxadiazolo[3,4-b]indol-4-yl)-
CAS No: 28864-61-1 Catalog No: AG002WWB MDL No:
Product Description
Catalog Number:
AG002WWB
Chemical Name:
Ethanone, 1-(4H-[1,2,5]oxadiazolo[3,4-b]indol-4-yl)-
CAS Number:
28864-61-1
Molecular Formula:
C10H7N3O2
Molecular Weight:
201.1815
IUPAC Name:
1-([1,2,5]oxadiazolo[3,4-b]indol-4-yl)ethanone
InChI:
InChI=1S/C10H7N3O2/c1-6(14)13-8-5-3-2-4-7(8)9-10(13)12-15-11-9/h2-5H,1H3
InChI Key:
XTDUWWSXZABVMW-UHFFFAOYSA-N
SMILES:
CC(=O)n1c2nonc2c2c1cccc2
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.054g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.185g/mol
Monoisotopic Mass:
201.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
60.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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