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917396-43-1 | Pyridine, 5-(3-isoxazolyl)-2-methyl-
CAS No: 917396-43-1 Catalog No: AG006DS7 MDL No:
Product Description
Catalog Number:
AG006DS7
Chemical Name:
Pyridine, 5-(3-isoxazolyl)-2-methyl-
CAS Number:
917396-43-1
Molecular Formula:
C9H8N2O
Molecular Weight:
160.1726
IUPAC Name:
3-(6-methylpyridin-3-yl)-1,2-oxazole
InChI:
InChI=1S/C9H8N2O/c1-7-2-3-8(6-10-7)9-4-5-12-11-9/h2-6H,1H3
InChI Key:
JSCLADMADPAFHR-UHFFFAOYSA-N
SMILES:
Cc1ccc(cn1)c1nocc1
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.064g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.176g/mol
Monoisotopic Mass:
160.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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