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159389-60-3 | Acetamide, N-[2-[(7-oxo-1,3,5-cycloheptatrien-1-yl)amino]ethyl]-
CAS No: 159389-60-3 Catalog No: AG001QN4 MDL No:
Product Description
Catalog Number:
AG001QN4
Chemical Name:
Acetamide, N-[2-[(7-oxo-1,3,5-cycloheptatrien-1-yl)amino]ethyl]-
CAS Number:
159389-60-3
Molecular Formula:
C11H14N2O2
Molecular Weight:
206.2411
IUPAC Name:
N-[2-[(7-oxocyclohepta-1,3,5-trien-1-yl)amino]ethyl]acetamide
InChI:
InChI=1S/C11H14N2O2/c1-9(14)12-7-8-13-10-5-3-2-4-6-11(10)15/h2-6H,7-8H2,1H3,(H,12,14)(H,13,15)
InChI Key:
CFMCZKKWCLZRRY-UHFFFAOYSA-N
SMILES:
CC(=O)NCCNc1cccccc1=O
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.106g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
206.245g/mol
Monoisotopic Mass:
206.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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