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138716-32-2 | Isoxazole, 5-(5-methyl-2-thienyl)- (9CI)
CAS No: 138716-32-2 Catalog No: AG009HBU MDL No:
Product Description
Catalog Number:
AG009HBU
Chemical Name:
Isoxazole, 5-(5-methyl-2-thienyl)- (9CI)
CAS Number:
138716-32-2
IUPAC Name:
5-(5-methylthiophen-2-yl)-1,2-oxazole
InChI:
InChI=1S/C8H7NOS/c1-6-2-3-8(11-6)7-4-5-9-10-7/h2-5H,1H3
InChI Key:
ZDPFRUDQPUUDEZ-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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