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123172-88-3 | 2-Propenoic acid, 3-(2-quinolinyl)-, ethyl ester, (2E)-
CAS No: 123172-88-3 Catalog No: AG000K4X MDL No:
Product Description
Catalog Number:
AG000K4X
Chemical Name:
2-Propenoic acid, 3-(2-quinolinyl)-, ethyl ester, (2E)-
CAS Number:
123172-88-3
Molecular Formula:
C14H13NO2
Molecular Weight:
227.2585
IUPAC Name:
ethyl 3-quinolin-2-ylprop-2-enoate
InChI:
InChI=1S/C14H13NO2/c1-2-17-14(16)10-9-12-8-7-11-5-3-4-6-13(11)15-12/h3-10H,2H2,1H3
InChI Key:
RQQNOLUEUFVWJV-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C=C/c1ccc2c(n1)cccc2
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.095g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.263g/mol
Monoisotopic Mass:
227.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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