Cas no 920491-94-7 (2-Propenoic acid, 3-(8-quinolinyl)-, methyl ester, (2E)-)
920491-94-7 structure
Product Name:2-Propenoic acid, 3-(8-quinolinyl)-, methyl ester, (2E)-
CAS No:920491-94-7
MF:C13H11NO2
MW:213.231943368912
CID:757100
PubChem ID:71424164
Update Time:2025-04-19
2-Propenoic acid, 3-(8-quinolinyl)-, methyl ester, (2E)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid, 3-(8-quinolinyl)-, methyl ester, (2E)-
- methyl 3-quinolin-8-ylprop-2-enoate
- AKOS017187793
- DTXSID00842967
- 920491-94-7
- Methyl 3-(quinolin-8-yl)prop-2-enoate
-
- Inchi： 1S/C13H11NO2/c1-16-12(15)8-7-11-5-2-4-10-6-3-9-14-13(10)11/h2-9H,1H3
- InChI Key： BUOQPCWMBKCYAM-UHFFFAOYSA-N
- SMILES： O(C)C(C=CC1=CC=CC2=CC=CN=C21)=O
Computed Properties
- Exact Mass: 213.078978594g/mol
- Monoisotopic Mass: 213.078978594g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 275
- 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: 2.5
- Topological Polar Surface Area: 39.2?2
2-Propenoic acid, 3-(8-quinolinyl)-, methyl ester, (2E)- Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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