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104516-55-4 | Isoxazole, 3-methyl-5-(2-thienyl)- (9CI)
CAS No: 104516-55-4 Catalog No: AG009QTZ MDL No:
Product Description
Catalog Number:
AG009QTZ
Chemical Name:
Isoxazole, 3-methyl-5-(2-thienyl)- (9CI)
CAS Number:
104516-55-4
IUPAC Name:
3-methyl-5-thiophen-2-yl-1,2-oxazole
InChI:
InChI=1S/C8H7NOS/c1-6-5-7(10-9-6)8-3-2-4-11-8/h2-5H,1H3
InChI Key:
ZVNKKAJCEFLZPE-UHFFFAOYSA-N
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.025g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.21g/mol
Monoisotopic Mass:
165.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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