Cas no 72036-30-7 (Lithium, (3-ethoxy-3-oxo-1-propynyl)-)
72036-30-7 structure
Product Name:Lithium, (3-ethoxy-3-oxo-1-propynyl)-
CAS No:72036-30-7
MF:C5H5LiO2
MW:104.033001661301
CID:544684
PubChem ID:11029775
Update Time:2025-04-19
Lithium, (3-ethoxy-3-oxo-1-propynyl)- Chemical and Physical Properties
Names and Identifiers
-
- Lithium, (3-ethoxy-3-oxo-1-propynyl)-
- lithium,ethyl prop-2-ynoate
- DTXSID70452411
- 72036-30-7
- ethyl lithiopropiolate
- 3-ethoxy-3-oxoprop-1-yn-1-yl lithium
-
- Inchi： 1S/C5H5O2.Li/c1-3-5(6)7-4-2;/h4H2,2H3;/q-1;+1
- InChI Key： PSJYLQLJXFHELN-UHFFFAOYSA-N
- SMILES： O(C(C#[C-])=O)CC.[Li+]
Computed Properties
- Exact Mass: 103.04407
- Monoisotopic Mass: 104.04495783g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 8
- Rotatable Bond Count: 2
- Complexity: 111
- 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
Lithium, (3-ethoxy-3-oxo-1-propynyl)- Related Literature
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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