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680595-37-3 | Acetamide, N-[1-cyano-3-(5-methyl-1,1-dioxido-2-thienyl)propyl]-
CAS No: 680595-37-3 Catalog No: AG006G99 MDL No:
Product Description
Catalog Number:
AG006G99
Chemical Name:
Acetamide, N-[1-cyano-3-(5-methyl-1,1-dioxido-2-thienyl)propyl]-
CAS Number:
680595-37-3
Molecular Formula:
C11H14N2O3S
Molecular Weight:
254.3055
IUPAC Name:
N-[1-cyano-3-(5-methyl-1,1-dioxothiophen-2-yl)propyl]acetamide
InChI:
InChI=1S/C11H14N2O3S/c1-8-3-5-11(17(8,15)16)6-4-10(7-12)13-9(2)14/h3,5,10H,4,6H2,1-2H3,(H,13,14)
InChI Key:
VAHHKGVUWSXVIV-UHFFFAOYSA-N
SMILES:
N#CC(NC(=O)C)CCC1=CC=C(S1(=O)=O)C
Properties
Complexity:
529
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.073g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.304g/mol
Monoisotopic Mass:
254.073g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
95.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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