Cas no 425376-47-2 (Agn-PC-0nhuph)
Agn-PC-0nhuph structure
Product Name:Agn-PC-0nhuph
CAS No:425376-47-2
MF:C13H12O4
MW:232.231984138489
CID:2827279
PubChem ID:12121101
Update Time:2025-04-21
Agn-PC-0nhuph Chemical and Physical Properties
Names and Identifiers
-
- DTXCID80428788
- 425376-47-2
- DTXSID80477978
- 3-[2-(Methoxycarbonylmethyl)phenyl]propiolic acid methyl ester
- AGN-PC-0NHUPH
- Agn-PC-0nhuph
-
- Inchi： 1S/C13H12O4/c1-16-12(14)8-7-10-5-3-4-6-11(10)9-13(15)17-2/h3-6H,9H2,1-2H3
- InChI Key： VPCJFZIXLLOSKF-UHFFFAOYSA-N
- SMILES： O(C)C(CC1C=CC=CC=1C#CC(=O)OC)=O
Computed Properties
- Exact Mass: 232.07355886Da
- Monoisotopic Mass: 232.07355886Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 5
- Complexity: 347
- 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: 2.2
- Topological Polar Surface Area: 52.6?2
Agn-PC-0nhuph Related Literature
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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2. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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