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114037-86-4 | Acetamide, N-[4-(1,2,2-tricyanoethyl)phenyl]-
CAS No: 114037-86-4 Catalog No: AG000ACJ MDL No:
Product Description
Catalog Number:
AG000ACJ
Chemical Name:
Acetamide, N-[4-(1,2,2-tricyanoethyl)phenyl]-
CAS Number:
114037-86-4
Molecular Formula:
C13H10N4O
Molecular Weight:
238.2447
IUPAC Name:
N-[4-(1,2,2-tricyanoethyl)phenyl]acetamide
InChI:
InChI=1S/C13H10N4O/c1-9(18)17-12-4-2-10(3-5-12)13(8-16)11(6-14)7-15/h2-5,11,13H,1H3,(H,17,18)
InChI Key:
TVMSAGKNBZXZEM-UHFFFAOYSA-N
SMILES:
N#CC(C(C#N)C#N)c1ccc(cc1)NC(=O)C
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.085g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.25g/mol
Monoisotopic Mass:
238.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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