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138716-44-6 | Isoxazole, 5-(2-thienyl)-
CAS No: 138716-44-6 Catalog No: AG001924 MDL No:MFCD06409150
Product Description
Catalog Number:
AG001924
Chemical Name:
Isoxazole, 5-(2-thienyl)-
CAS Number:
138716-44-6
Molecular Formula:
C7H5NOS
Molecular Weight:
151.1857
MDL Number:
MFCD06409150
IUPAC Name:
5-thiophen-2-yl-1,2-oxazole
InChI:
InChI=1S/C7H5NOS/c1-2-7(10-5-1)6-3-4-8-9-6/h1-5H
InChI Key:
KNRAAHWCKJMGNF-UHFFFAOYSA-N
SMILES:
c1noc(c1)c1cccs1
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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