Cas no 123172-88-3 (2-Propenoic acid, 3-(2-quinolinyl)-, ethyl ester, (E)-)
123172-88-3 structure
Product Name:2-Propenoic acid, 3-(2-quinolinyl)-, ethyl ester, (E)-
CAS No:123172-88-3
MF:C14H13NO2
MW:227.258523702621
CID:1214581
PubChem ID:54280796
Update Time:2025-04-20
2-Propenoic acid, 3-(2-quinolinyl)-, ethyl ester, (E)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid, 3-(2-quinolinyl)-, ethyl ester, (E)-
- ethyl 3-quinolin-2-ylprop-2-enoate
- DTXSID70710280
- Ethyl 3-(quinolin-2-yl)prop-2-enoate
- 123172-88-3
-
- 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： O(C(C=CC1=CC=C2C=CC=CC2=N1)=O)CC
Computed Properties
- Exact Mass: 227.095
- Monoisotopic Mass: 227.095
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 288
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 2.9
- Topological Polar Surface Area: 39.2A^2
2-Propenoic acid, 3-(2-quinolinyl)-, ethyl ester, (E)- Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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