Cas no 61149-91-5 (Cyclopropanecarboxylic acid, 1-cyano-2,2,3-trimethyl-, methyl ester)
61149-91-5 structure
Product Name:Cyclopropanecarboxylic acid, 1-cyano-2,2,3-trimethyl-, methyl ester
CAS No:61149-91-5
MF:C9H13NO2
MW:167.205022573471
CID:490549
PubChem ID:13483106
Update Time:2025-04-19
Cyclopropanecarboxylic acid, 1-cyano-2,2,3-trimethyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Cyclopropanecarboxylic acid, 1-cyano-2,2,3-trimethyl-, methyl ester
- methyl 1-cyano-2,2,3-trimethylcyclopropane-1-carboxylate
- DTXSID10541893
- SCHEMBL7624658
- 61149-91-5
-
- Inchi： 1S/C9H13NO2/c1-6-8(2,3)9(6,5-10)7(11)12-4/h6H,1-4H3
- InChI Key： ZTXIGNUEDBCFKN-UHFFFAOYSA-N
- SMILES： O(C)C(C1(C#N)C(C)C1(C)C)=O
Computed Properties
- Exact Mass: 167.09469
- Monoisotopic Mass: 167.094628657g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 274
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.6
- Topological Polar Surface Area: 50.1?2
Experimental Properties
- PSA: 50.09
Cyclopropanecarboxylic acid, 1-cyano-2,2,3-trimethyl-, methyl ester Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
61149-91-5 (Cyclopropanecarboxylic acid, 1-cyano-2,2,3-trimethyl-, methyl ester) Related Products
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