Home Carboxys ethyl 4-aminocinnoline-3-carboxylate

ethyl 4-aminocinnoline-3-carboxylate

CAS No.:
206002-69-9
Catalog Number:
AG01AJVP
Molecular Formula:
C11H11N3O2
Molecular Weight:
217.2239
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Product Description
Catalog Number:
AG01AJVP
Chemical Name:
ethyl 4-aminocinnoline-3-carboxylate
CAS Number:
206002-69-9
Molecular Formula:
C11H11N3O2
Molecular Weight:
217.2239
MDL Number:
MFCD19686426
IUPAC Name:
ethyl 4-aminocinnoline-3-carboxylate
InChI:
InChI=1S/C11H11N3O2/c1-2-16-11(15)10-9(12)7-5-3-4-6-8(7)13-14-10/h3-6H,2H2,1H3,(H2,12,13)
InChI Key:
BSIMVLXKNFOEQR-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nnc2c(c1N)cccc2
Properties
Complexity:
260  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.085g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
217.228g/mol
Monoisotopic Mass:
217.085g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties