Cas no 13061-75-1 (2-Propynoic acid,3-phenyl-, 3-phenyl-2-propyn-1-yl ester)
13061-75-1 structure
Product Name:2-Propynoic acid,3-phenyl-, 3-phenyl-2-propyn-1-yl ester
CAS No:13061-75-1
MF:C18H12O2
MW:260.286684989929
CID:209390
PubChem ID:270588
Update Time:2025-04-19
2-Propynoic acid,3-phenyl-, 3-phenyl-2-propyn-1-yl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Propynoic acid,3-phenyl-, 3-phenyl-2-propyn-1-yl ester
- 3-phenylprop-2-ynyl 3-phenylprop-2-ynoate
- 3-phenyl-2-propyn-1-ol phenylpropiolate
- 3-phenylprop-2-yn-1-yl 3-phenylprop-2-ynoate
- 3-phenylpropargyl phenylpropiolate
- 4-phenylprop-2-ynyl 3-phenylpropiolate
- AC1L6OXW
- AC1Q5BQF
- AG-J-90549
- AR-1F5061
- CTK4B6837
- NSC113075
- Phenylpropiolsaeure-phenylpropargylester
- NSC-113075
- 13061-75-1
- DTXSID30297007
-
- Inchi： 1S/C18H12O2/c19-18(14-13-17-10-5-2-6-11-17)20-15-7-12-16-8-3-1-4-9-16/h1-6,8-11H,15H2
- InChI Key： TWDDBAJUPAJTJY-UHFFFAOYSA-N
- SMILES： O(C(C#CC1C=CC=CC=1)=O)CC#CC1C=CC=CC=1
Computed Properties
- Exact Mass: 260.08376
- Monoisotopic Mass: 260.083729621g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 4
- Complexity: 439
- 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: 4.3
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
2-Propynoic acid,3-phenyl-, 3-phenyl-2-propyn-1-yl ester Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
13061-75-1 (2-Propynoic acid,3-phenyl-, 3-phenyl-2-propyn-1-yl ester) Related Products
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