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949980-44-3 | 2-[2-(thiophen-2-yl)-1,3-oxazol-4-yl]acetonitrile
CAS No: 949980-44-3 Catalog No: AG019L40 MDL No:MFCD09863289
Product Description
Catalog Number:
AG019L40
Chemical Name:
2-[2-(thiophen-2-yl)-1,3-oxazol-4-yl]acetonitrile
CAS Number:
949980-44-3
Molecular Formula:
C9H6N2OS
Molecular Weight:
190.2217
MDL Number:
MFCD09863289
IUPAC Name:
2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetonitrile
InChI:
InChI=1S/C9H6N2OS/c10-4-3-7-6-12-9(11-7)8-2-1-5-13-8/h1-2,5-6H,3H2
InChI Key:
PKGUQPODFNOKNG-UHFFFAOYSA-N
SMILES:
N#CCc1coc(n1)c1cccs1
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.02g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.22g/mol
Monoisotopic Mass:
190.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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