Cas no 200708-39-0 (1H-Imidazole-5-carboxylicacid, 2-cyano-, ethyl ester)
200708-39-0 structure
Product Name:1H-Imidazole-5-carboxylicacid, 2-cyano-, ethyl ester
CAS No:200708-39-0
MF:C7H7N3O2
MW:165.149380922318
CID:240771
PubChem ID:15376183
Update Time:2025-04-19
1H-Imidazole-5-carboxylicacid, 2-cyano-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Imidazole-5-carboxylicacid, 2-cyano-, ethyl ester
- ethyl 2-cyano-1H-imidazole-5-carboxylate
- 2-CYANO-1H-IMIDAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
- Ethyl 2-cyanoimidazole-4-carboxylate
- 200708-39-0
- 1H-Imidazole-4-carboxylicacid,2-cyano-,ethylester(9CI)
- DTXSID10572162
- SCHEMBL8188160
-
- Inchi： 1S/C7H7N3O2/c1-2-12-7(11)5-4-9-6(3-8)10-5/h4H,2H2,1H3,(H,9,10)
- InChI Key： USXHTWRDPNUVRY-UHFFFAOYSA-N
- SMILES： O(C(C1=CN=C(C#N)N1)=O)CC
Computed Properties
- Exact Mass: 165.05400
- Monoisotopic Mass: 165.053826475g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 220
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.7
- Topological Polar Surface Area: 78.8?2
Experimental Properties
- PSA: 78.77000
- LogP: 0.45808
1H-Imidazole-5-carboxylicacid, 2-cyano-, ethyl ester Related Literature
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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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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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