Cas no 651025-08-0 (2-Propenoic acid, 3-(6-methyl-2-quinolinyl)-, (2E)-)
651025-08-0 structure
Product Name:2-Propenoic acid, 3-(6-methyl-2-quinolinyl)-, (2E)-
CAS No:651025-08-0
MF:C13H11NO2
MW:213.231943368912
CID:407768
PubChem ID:57367869
Update Time:2025-04-19
2-Propenoic acid, 3-(6-methyl-2-quinolinyl)-, (2E)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid, 3-(6-methyl-2-quinolinyl)-, (2E)-
- 3-(6-methylquinolin-2-yl)prop-2-enoic acid
- DTXSID10724482
- 651025-08-0
-
- Inchi： 1S/C13H11NO2/c1-9-2-6-12-10(8-9)3-4-11(14-12)5-7-13(15)16/h2-8H,1H3,(H,15,16)
- InChI Key： SGUAKYMODGDLRS-UHFFFAOYSA-N
- SMILES： OC(C=CC1=CC=C2C=C(C)C=CC2=N1)=O
Computed Properties
- Exact Mass: 213.07903
- Monoisotopic Mass: 213.078978594g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- 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: 2.5
- Topological Polar Surface Area: 50.2?2
Experimental Properties
- PSA: 50.19
2-Propenoic acid, 3-(6-methyl-2-quinolinyl)-, (2E)- Related Literature
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
-
Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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