Cas no 87848-98-4 (2-Propenoic acid, 3-[6-(4-methylbenzoyl)-2-pyridinyl]-, ethyl ester, (E)-)
![2-Propenoic acid, 3-[6-(4-methylbenzoyl)-2-pyridinyl]-, ethyl ester, (E)- structure](https://ossimg.kuujia.com/scimg/88000/87848-98-4x500.png)
87848-98-4 structure
Product Name:2-Propenoic acid, 3-[6-(4-methylbenzoyl)-2-pyridinyl]-, ethyl ester, (E)-
CAS No:87848-98-4
MF:C18H17NO3
MW:295.332484960556
CID:651519
PubChem ID:71411965
Update Time:2025-04-19
2-Propenoic acid, 3-[6-(4-methylbenzoyl)-2-pyridinyl]-, ethyl ester, (E)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid, 3-[6-(4-methylbenzoyl)-2-pyridinyl]-, ethyl ester, (E)-
- ethyl 3-[6-(4-methylbenzoyl)pyridin-2-yl]prop-2-enoate
- DTXSID60831539
- 87848-98-4
-
- Inchi： 1S/C18H17NO3/c1-3-22-17(20)12-11-15-5-4-6-16(19-15)18(21)14-9-7-13(2)8-10-14/h4-12H,3H2,1-2H3
- InChI Key： AGCGBHNGIKZFLE-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC=C(C=CC(=O)OCC)N=1)C1C=CC(C)=CC=1
Computed Properties
- Exact Mass: 295.12084340g/mol
- Monoisotopic Mass: 295.12084340g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 6
- Complexity: 411
- 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: 3.6
- Topological Polar Surface Area: 56.3?2
2-Propenoic acid, 3-[6-(4-methylbenzoyl)-2-pyridinyl]-, ethyl ester, (E)- Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Jason Wan Lab Chip, 2020,20, 4528-4538
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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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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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