Cas no 25635-12-5 (3-Pyridinecarboxylicacid, 2-propen-1-yl ester)
25635-12-5 structure
Product Name:3-Pyridinecarboxylicacid, 2-propen-1-yl ester
CAS No:25635-12-5
MF:C9H9NO2
MW:163.173262357712
CID:287812
PubChem ID:117569
Update Time:2025-04-19
3-Pyridinecarboxylicacid, 2-propen-1-yl ester Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridinecarboxylicacid, 2-propen-1-yl ester
- prop-2-enyl pyridine-3-carboxylate
- Allyl nicotinate
- Nicotinic acid, allyl ester
- Nicotinic acid, prop-2-enyl ester
- Pyridine-3-carboxylic acid, allyl ester
- 3-Pyridinecarboxylic acid, 2-propenyl ester
- FT-0758767
- 2-Propen-1-yl 3-pyridinecarboxylate
- WBD8BBF8JK
- EINECS 247-141-6
- 3-Pyridinecarboxylic acid, 2-propen-1-yl ester
- NS00027930
- DTXSID20180313
- 25635-12-5
- SJUZMXLTUGZSSQ-UHFFFAOYSA-N
- SCHEMBL503334
-
- Inchi： 1S/C9H9NO2/c1-2-6-12-9(11)8-4-3-5-10-7-8/h2-5,7H,1,6H2
- InChI Key： SJUZMXLTUGZSSQ-UHFFFAOYSA-N
- SMILES： O(CC=C)C(C1C=NC=CC=1)=O
Computed Properties
- Exact Mass: 163.06337
- Monoisotopic Mass: 163.063329
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 168
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.5
- Topological Polar Surface Area: 39.2
Experimental Properties
- Density: 1.097
- Boiling Point: 253.2°Cat760mmHg
- Flash Point: 106.9°C
- Refractive Index: 1.518
- PSA: 39.19
- LogP: 1.42440
3-Pyridinecarboxylicacid, 2-propen-1-yl ester Related Literature
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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