Cas no 80220-92-4 (2-Propynoic acid, 3-phenyl-, propyl ester)
80220-92-4 structure
Product Name:2-Propynoic acid, 3-phenyl-, propyl ester
CAS No:80220-92-4
MF:C12H12O2
MW:188.222483634949
CID:706046
PubChem ID:13281365
Update Time:2025-04-19
2-Propynoic acid, 3-phenyl-, propyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Propynoic acid, 3-phenyl-, propyl ester
- propyl 3-phenylprop-2-ynoate
- LogP
- AKOS018720040
- 80220-92-4
- DTXSID30534449
-
- Inchi： 1S/C12H12O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h3-7H,2,10H2,1H3
- InChI Key： WHLWKCVKBYBBSC-UHFFFAOYSA-N
- SMILES： O(C(C#CC1C=CC=CC=1)=O)CCC
Computed Properties
- Exact Mass: 188.083729621g/mol
- Monoisotopic Mass: 188.083729621g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 238
- 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: 3.3
- Topological Polar Surface Area: 26.3?2
2-Propynoic acid, 3-phenyl-, propyl ester Related Literature
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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Patricia A. A. M. Vaz,Jo?o Rocha,Artur M. S. Silva New J. Chem., 2016,40, 8198-8201
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
80220-92-4 (2-Propynoic acid, 3-phenyl-, propyl ester) Related Products
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- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
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