Cas no 24543-21-3 (Cyclopropanecarboxylicacid, 1,2,2-tricyano-3,3-diethyl-, ethyl ester)
24543-21-3 structure
Product Name:Cyclopropanecarboxylicacid, 1,2,2-tricyano-3,3-diethyl-, ethyl ester
CAS No:24543-21-3
MF:C13H15N3O2
MW:245.277102708817
CID:265019
PubChem ID:263726
Update Time:2025-04-19
Cyclopropanecarboxylicacid, 1,2,2-tricyano-3,3-diethyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Cyclopropanecarboxylicacid, 1,2,2-tricyano-3,3-diethyl-, ethyl ester
- 3,3-Diaethyl-1,2,2-tricyan-cyclopropan-1-carbonsaeure-aethylester
- AC1L6ABR
- AC1Q4QYN
- AG-E-73286
- AR-1I7850
- CTK4F3865
- Ethyl 1,2,2-tricyano-3,3-diethylcyclopropanecarboxylate
- NSC98389
- NSC-98389
- NSC 98389
- ethyl 1,2,2-tricyano-3,3-diethyl-cyclopropanecarboxylate
- 24543-21-3
-
- Inchi： 1S/C13H15N3O2/c1-4-11(5-2)12(7-14,8-15)13(11,9-16)10(17)18-6-3/h4-6H2,1-3H3
- InChI Key： LXMFDDLRYDCCOL-UHFFFAOYSA-N
- SMILES： O(CC)C(C1(C#N)C(C#N)(C#N)C1(CC)CC)=O
Computed Properties
- Exact Mass: 245.11655
- Monoisotopic Mass: 245.116426730g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 5
- Complexity: 504
- 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: 1.8
- Topological Polar Surface Area: 97.7?2
Experimental Properties
- PSA: 97.67
Cyclopropanecarboxylicacid, 1,2,2-tricyano-3,3-diethyl-, ethyl ester Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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