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88758-75-2 | Ethanimidamide, N-[[(2-propynyloxy)carbonyl]oxy]-2-(8-quinolinyloxy)-
CAS No: 88758-75-2 Catalog No: AG004C1Z MDL No:
Product Description
Catalog Number:
AG004C1Z
Chemical Name:
Ethanimidamide, N-[[(2-propynyloxy)carbonyl]oxy]-2-(8-quinolinyloxy)-
CAS Number:
88758-75-2
Molecular Formula:
C15H13N3O4
Molecular Weight:
299.2814
IUPAC Name:
[(1-amino-2-quinolin-8-yloxyethylidene)amino] prop-2-ynyl carbonate
InChI:
InChI=1S/C15H13N3O4/c1-2-9-20-15(19)22-18-13(16)10-21-12-7-3-5-11-6-4-8-17-14(11)12/h1,3-8H,9-10H2,(H2,16,18)
InChI Key:
KYWLBDHWRPJQKU-UHFFFAOYSA-N
SMILES:
C#CCOC(=O)ONC(=N)COc1cccc2c1nccc2
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.091g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.286g/mol
Monoisotopic Mass:
299.091g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
96A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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