Cas no 24543-06-4 (Cyclopropanecarboxylicacid, 1,2,2-tricyano-3,3-dimethyl-, ethyl ester)
24543-06-4 structure
Product Name:Cyclopropanecarboxylicacid, 1,2,2-tricyano-3,3-dimethyl-, ethyl ester
CAS No:24543-06-4
MF:C11H11N3O2
MW:217.223942041397
CID:282767
PubChem ID:263686
Update Time:2025-04-19
Cyclopropanecarboxylicacid, 1,2,2-tricyano-3,3-dimethyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Cyclopropanecarboxylicacid, 1,2,2-tricyano-3,3-dimethyl-, ethyl ester
- ethyl 1,2,2-tricyano-3,3-dimethylcyclopropane-1-carboxylate
- 1,2,2-Tricyan-3,3-dimethyl-cyclopropan-1-carbonsaeure-aethylester
- 1,2,2-Tricyan-3,3-dimethyl-cyclopropancarbonsaeure-aethylester
- 1,2,2-tricyano-3,3-dimethyl-cyclopropanecarboxylic acid ethyl ester
- AC1L6A8I
- AC1Q4QYL
- AR-1I7851
- CTK4F3864
- ethyl 1,2,2-tricyano-3,3-dimethylcyclopropanecarboxylate
- NCIOpen2_006617
- NSC98343
- DTXSID70294833
- NSC-98343
- 24543-06-4
-
- Inchi： 1S/C11H11N3O2/c1-4-16-8(15)11(7-14)9(2,3)10(11,5-12)6-13/h4H2,1-3H3
- InChI Key： RLFHBAXSRXSCHB-UHFFFAOYSA-N
- SMILES： O(CC)C(C1(C#N)C(C#N)(C#N)C1(C)C)=O
Computed Properties
- Exact Mass: 217.08523
- Monoisotopic Mass: 217.085
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 477
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.7
- Topological Polar Surface Area: 97.7?2
Experimental Properties
- Density: 1.22
- Boiling Point: 410.7°Cat760mmHg
- Flash Point: 179.6°C
- Refractive Index: 1.504
- PSA: 97.67
- LogP: 1.13284
Cyclopropanecarboxylicacid, 1,2,2-tricyano-3,3-dimethyl-, ethyl ester Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
-
Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
24543-06-4 (Cyclopropanecarboxylicacid, 1,2,2-tricyano-3,3-dimethyl-, ethyl ester) Related Products
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