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69976-10-9 | 3-(QUINOLIN-4-YL)-ACRYLIC ACID ETHYL ESTER
CAS No: 69976-10-9 Catalog No: AG005GMS MDL No:
Product Description
Catalog Number:
AG005GMS
Chemical Name:
3-(QUINOLIN-4-YL)-ACRYLIC ACID ETHYL ESTER
CAS Number:
69976-10-9
Molecular Formula:
C14H13NO2
Molecular Weight:
227.2585
IUPAC Name:
ethyl (E)-3-quinolin-4-ylprop-2-enoate
InChI:
InChI=1S/C14H13NO2/c1-2-17-14(16)8-7-11-9-10-15-13-6-4-3-5-12(11)13/h3-10H,2H2,1H3/b8-7+
InChI Key:
RHFRZAJHLZYXMF-BQYQJAHWSA-N
SMILES:
CCOC(=O)C=Cc1ccnc2c1cccc2
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
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:
0
XLogP3:
2.9
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