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77263-45-7 | 5H-Oxazolo[3,2-a]pyridine-6-carbonitrile, 2,3-dihydro-7-methyl-5-oxo-
CAS No: 77263-45-7 Catalog No: AG008NEV MDL No:
Product Description
Catalog Number:
AG008NEV
Chemical Name:
5H-Oxazolo[3,2-a]pyridine-6-carbonitrile, 2,3-dihydro-7-methyl-5-oxo-
CAS Number:
77263-45-7
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
IUPAC Name:
7-methyl-5-oxo-2,3-dihydro-[1,3]oxazolo[3,2-a]pyridine-6-carbonitrile
InChI:
InChI=1S/C9H8N2O2/c1-6-4-8-11(2-3-13-8)9(12)7(6)5-10/h4H,2-3H2,1H3
InChI Key:
GFTUKBARRAIMMJ-UHFFFAOYSA-N
SMILES:
N#Cc1c(C)cc2n(c1=O)CCO2
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.175g/mol
Monoisotopic Mass:
176.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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