Cas no 62230-14-2 (2-Propenoic acid, 3-(4-pyridinyl)-, butyl ester)
62230-14-2 structure
Product Name:2-Propenoic acid, 3-(4-pyridinyl)-, butyl ester
CAS No:62230-14-2
MF:C12H15NO2
MW:205.253003358841
CID:453429
PubChem ID:71388548
Update Time:2025-04-19
2-Propenoic acid, 3-(4-pyridinyl)-, butyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid, 3-(4-pyridinyl)-, butyl ester
- butyl 3-pyridin-4-ylprop-2-enoate
- DTXSID50810611
- BUTYL 3-(PYRIDIN-4-YL)PROP-2-ENOATE
- 62230-14-2
-
- Inchi: 1S/C12H15NO2/c1-2-3-10-15-12(14)5-4-11-6-8-13-9-7-11/h4-9H,2-3,10H2,1H3
- InChI Key: VHYJJIUGXPLUEO-UHFFFAOYSA-N
- SMILES: O(C(C=CC1C=CN=CC=1)=O)CCCC
Computed Properties
- Exact Mass: 205.11035
- Monoisotopic Mass: 205.110278721g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 6
- Complexity: 208
- 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: 2.4
- Topological Polar Surface Area: 39.2?2
Experimental Properties
- PSA: 39.19
2-Propenoic acid, 3-(4-pyridinyl)-, butyl ester Related Literature
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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L. Di Michele,D. Fiocco,F. Varrato,E. Eiser,G. Foffi Soft Matter, 2014,10, 3633-3648
62230-14-2 (2-Propenoic acid, 3-(4-pyridinyl)-, butyl ester) Related Products
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