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95211-79-3 | Acetamide, N-[4-(3-cyano-1-oxopropyl)-2-thiazolyl]-
CAS No: 95211-79-3 Catalog No: AG00667U MDL No:
Product Description
Catalog Number:
AG00667U
Chemical Name:
Acetamide, N-[4-(3-cyano-1-oxopropyl)-2-thiazolyl]-
CAS Number:
95211-79-3
Molecular Formula:
C9H9N3O2S
Molecular Weight:
223.2517
IUPAC Name:
N-[4-(3-cyanopropanoyl)-1,3-thiazol-2-yl]acetamide
InChI:
InChI=1S/C9H9N3O2S/c1-6(13)11-9-12-7(5-15-9)8(14)3-2-4-10/h5H,2-3H2,1H3,(H,11,12,13)
InChI Key:
ZNKLQVHPPJLFQH-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1nc(cs1)C(=O)CCC#N
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.042g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.25g/mol
Monoisotopic Mass:
223.042g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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