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88758-39-8 | Ethanimidamide, N-[(1-oxo-2-propenyl)oxy]-2-(8-quinolinyloxy)-
CAS No: 88758-39-8 Catalog No: AG008BLI MDL No:
Product Description
Catalog Number:
AG008BLI
Chemical Name:
Ethanimidamide, N-[(1-oxo-2-propenyl)oxy]-2-(8-quinolinyloxy)-
CAS Number:
88758-39-8
Molecular Formula:
C14H13N3O3
Molecular Weight:
271.2713
IUPAC Name:
[(1-amino-2-quinolin-8-yloxyethylidene)amino] prop-2-enoate
InChI:
InChI=1S/C14H13N3O3/c1-2-13(18)20-17-12(15)9-19-11-7-3-5-10-6-4-8-16-14(10)11/h2-8H,1,9H2,(H2,15,17)
InChI Key:
IICZDAKWGXISMU-UHFFFAOYSA-N
SMILES:
C=CC(=O)ONC(=N)COc1cccc2c1nccc2
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.096g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.276g/mol
Monoisotopic Mass:
271.096g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
86.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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