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88757-97-5 | Ethanimidamide, N-(acetyloxy)-2-[(2-methyl-8-quinolinyl)oxy]-
CAS No: 88757-97-5 Catalog No: AG004CG8 MDL No:
Product Description
Catalog Number:
AG004CG8
Chemical Name:
Ethanimidamide, N-(acetyloxy)-2-[(2-methyl-8-quinolinyl)oxy]-
CAS Number:
88757-97-5
Molecular Formula:
C14H15N3O3
Molecular Weight:
273.2872
IUPAC Name:
[[1-amino-2-(2-methylquinolin-8-yl)oxyethylidene]amino] acetate
InChI:
InChI=1S/C14H15N3O3/c1-9-6-7-11-4-3-5-12(14(11)16-9)19-8-13(15)17-20-10(2)18/h3-7H,8H2,1-2H3,(H2,15,17)
InChI Key:
CJNLUDNEIJKFHL-UHFFFAOYSA-N
SMILES:
N=C(COc1cccc2c1nc(C)cc2)NOC(=O)C
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.111g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.292g/mol
Monoisotopic Mass:
273.111g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
86.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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