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114648-31-6

114648-31-6 | Acetic acid, 2-(1-acetyl-4(1H)-quinolinylidene)-2-cyano-, ethyl ester

CAS No: 114648-31-6 Catalog No: AG000EX2 MDL No:

Product Description

Catalog Number:
AG000EX2
Chemical Name:
Acetic acid, 2-(1-acetyl-4(1H)-quinolinylidene)-2-cyano-, ethyl ester
CAS Number:
114648-31-6
Molecular Formula:
C16H14N2O3
Molecular Weight:
282.2940
IUPAC Name:
ethyl 2-(1-acetylquinolin-4-ylidene)-2-cyanoacetate
InChI:
InChI=1S/C16H14N2O3/c1-3-21-16(20)14(10-17)12-8-9-18(11(2)19)15-7-5-4-6-13(12)15/h4-9H,3H2,1-2H3
InChI Key:
HINYMKPQRURRKH-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=c1ccn(c2c1cccc2)C(=O)C)C#N

Properties

Complexity:
553  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.1g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.299g/mol
Monoisotopic Mass:
282.1g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
70.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
1.6  

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