Cas no 62500-21-4 (Copper, (3-ethoxy-3-oxo-1-propynyl)-)
62500-21-4 structure
Product Name:Copper, (3-ethoxy-3-oxo-1-propynyl)-
CAS No:62500-21-4
MF:C5H5CuO2
MW:160.638003110886
CID:442560
PubChem ID:85437952
Update Time:2025-04-19
Copper, (3-ethoxy-3-oxo-1-propynyl)- Chemical and Physical Properties
Names and Identifiers
-
- Copper, (3-ethoxy-3-oxo-1-propynyl)-
- copper(1+),ethyl prop-2-ynoate
- 62500-21-4
- DTXSID00487610
-
- Inchi： 1S/C5H5O2.Cu/c1-3-5(6)7-4-2;/h4H2,2H3;/q-1;+1
- InChI Key： QWQIFSHFHUHVIR-UHFFFAOYSA-N
- SMILES： [Cu+].O(C(C#[C-])=O)CC
Computed Properties
- Exact Mass: 159.95855
- Monoisotopic Mass: 159.958552g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 8
- Rotatable Bond Count: 2
- Complexity: 107
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Copper, (3-ethoxy-3-oxo-1-propynyl)- Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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