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17770-30-8 | Acetamide, N-[1-cyano-1-(2-thienyl)ethyl]-
CAS No: 17770-30-8 Catalog No: AG0025GX MDL No:
Product Description
Catalog Number:
AG0025GX
Chemical Name:
Acetamide, N-[1-cyano-1-(2-thienyl)ethyl]-
CAS Number:
17770-30-8
Molecular Formula:
C9H10N2OS
Molecular Weight:
194.2535
IUPAC Name:
N-(2-cyano-1-thiophen-2-ylethyl)acetamide
InChI:
InChI=1S/C9H10N2OS/c1-7(12)11-8(4-5-10)9-3-2-6-13-9/h2-3,6,8H,4H2,1H3,(H,11,12)
InChI Key:
NJKMZAVDAFBTHK-UHFFFAOYSA-N
SMILES:
N#CC(c1cccs1)(NC(=O)C)C
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.051g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.252g/mol
Monoisotopic Mass:
194.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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