Cas no 51756-42-4 (Lithium, (3,3-diethoxy-1-propynyl)-)
51756-42-4 structure
Product Name:Lithium, (3,3-diethoxy-1-propynyl)-
CAS No:51756-42-4
MF:C7H11LiO2
MW:134.1020424366
CID:361515
PubChem ID:11815403
Update Time:2025-04-19
Lithium, (3,3-diethoxy-1-propynyl)- Chemical and Physical Properties
Names and Identifiers
-
- Lithium, (3,3-diethoxy-1-propynyl)-
- lithium,3,3-diethoxyprop-1-yne
- 51756-42-4
- DTXSID90473380
- SCHEMBL4838365
-
- Inchi： 1S/C7H11O2.Li/c1-4-7(8-5-2)9-6-3;/h7H,5-6H2,2-3H3;/q-1;+1
- InChI Key： GCKWIWCTBWZZRE-UHFFFAOYSA-N
- SMILES： O(CC)C(C#[C-])OCC.[Li+]
Computed Properties
- Exact Mass: 133.09105
- Monoisotopic Mass: 134.09190802g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 99.4
- 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: 18.5?2
Experimental Properties
- PSA: 18.46
Lithium, (3,3-diethoxy-1-propynyl)- Related Literature
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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