Home Nitriles 3-(3-methylthiophen-2-yl)-3-oxopropanenitrile

3-(3-methylthiophen-2-yl)-3-oxopropanenitrile

CAS No.:
158387-04-3
Catalog Number:
AG019UV9
Molecular Formula:
C8H7NOS
Molecular Weight:
165.2123
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Product Description
Catalog Number:
AG019UV9
Chemical Name:
3-(3-methylthiophen-2-yl)-3-oxopropanenitrile
CAS Number:
158387-04-3
Molecular Formula:
C8H7NOS
Molecular Weight:
165.2123
MDL Number:
MFCD09932016
IUPAC Name:
3-(3-methylthiophen-2-yl)-3-oxopropanenitrile
InChI:
InChI=1S/C8H7NOS/c1-6-3-5-11-8(6)7(10)2-4-9/h3,5H,2H2,1H3
InChI Key:
ADWQCCUVFYGEJW-UHFFFAOYSA-N
SMILES:
N#CCC(=O)c1sccc1C
Properties
Complexity:
205  
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:
2  
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties