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102116-94-9 | Ethanone, 2-(3-methyl-5-isoxazolyl)-1-(2-pyridinyl)-
CAS No: 102116-94-9 Catalog No: AG0006NW MDL No:
Product Description
Catalog Number:
AG0006NW
Chemical Name:
Ethanone, 2-(3-methyl-5-isoxazolyl)-1-(2-pyridinyl)-
CAS Number:
102116-94-9
Molecular Formula:
C11H10N2O2
Molecular Weight:
202.2093
IUPAC Name:
2-(3-methyl-1,2-oxazol-5-yl)-1-pyridin-2-ylethanone
InChI:
InChI=1S/C11H10N2O2/c1-8-6-9(15-13-8)7-11(14)10-4-2-3-5-12-10/h2-6H,7H2,1H3
InChI Key:
ZTQHKHNENJKXCM-UHFFFAOYSA-N
SMILES:
Cc1noc(c1)CC(=O)c1ccccn1
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.213g/mol
Monoisotopic Mass:
202.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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