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138716-30-0 | Isoxazole, 5-(3-thienyl)- (9CI)
CAS No: 138716-30-0 Catalog No: AG00AIJM MDL No:
Product Description
Catalog Number:
AG00AIJM
Chemical Name:
Isoxazole, 5-(3-thienyl)- (9CI)
CAS Number:
138716-30-0
IUPAC Name:
5-thiophen-3-yl-1,2-oxazole
InChI:
InChI=1S/C7H5NOS/c1-3-8-9-7(1)6-2-4-10-5-6/h1-5H
InChI Key:
PXKGAEGLWIPBFD-UHFFFAOYSA-N
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.009g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.183g/mol
Monoisotopic Mass:
151.009g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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