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88758-01-4 | Ethanimidamide, N-[(1-oxo-2-butenyl)oxy]-2-(8-quinolinyloxy)-
CAS No: 88758-01-4 Catalog No: AG004CEG MDL No:
Product Description
Catalog Number:
AG004CEG
Chemical Name:
Ethanimidamide, N-[(1-oxo-2-butenyl)oxy]-2-(8-quinolinyloxy)-
CAS Number:
88758-01-4
Molecular Formula:
C15H15N3O3
Molecular Weight:
285.2979
IUPAC Name:
[(1-amino-2-quinolin-8-yloxyethylidene)amino] but-2-enoate
InChI:
InChI=1S/C15H15N3O3/c1-2-5-14(19)21-18-13(16)10-20-12-8-3-6-11-7-4-9-17-15(11)12/h2-9H,10H2,1H3,(H2,16,18)
InChI Key:
PTSYIYBQPRVFRH-UHFFFAOYSA-N
SMILES:
CC=CC(=O)ONC(=N)COc1cccc2c1nccc2
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.111g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.303g/mol
Monoisotopic Mass:
285.111g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
86.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
2.3
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