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177616-95-4 | 2-Propenoic acid, 2-cyano-3-(4-quinolinyl)-, ethyl ester, (E)- (9CI)
CAS No: 177616-95-4 Catalog No: AG0025FG MDL No:
Product Description
Catalog Number:
AG0025FG
Chemical Name:
2-Propenoic acid, 2-cyano-3-(4-quinolinyl)-, ethyl ester, (E)- (9CI)
CAS Number:
177616-95-4
Molecular Formula:
C15H12N2O2
Molecular Weight:
252.2680
IUPAC Name:
ethyl 2-cyano-3-quinolin-4-ylprop-2-enoate
InChI:
InChI=1S/C15H12N2O2/c1-2-19-15(18)12(10-16)9-11-7-8-17-14-6-4-3-5-13(11)14/h3-9H,2H2,1H3
InChI Key:
NHAQXIGAEKRJQM-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C(=C/c1ccnc2c1cccc2)/C#N
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.09g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.273g/mol
Monoisotopic Mass:
252.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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