Cas no 775251-03-1 (1H-Indole-3-carboximidicacid, 1-ethyl-, methyl ester)
775251-03-1 structure
Product Name:1H-Indole-3-carboximidicacid, 1-ethyl-, methyl ester
CAS No:775251-03-1
MF:C12H14N2O
MW:202.252362728119
CID:552583
Update Time:2022-07-26
1H-Indole-3-carboximidicacid, 1-ethyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
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- 1H-Indole-3-carboximidicacid, 1-ethyl-, methyl ester
- 1H-Indole-3-carboximidicacid,1-ethyl-,methylester(9CI)
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- Inchi： 1S/C12H14N2O/c1-3-14-8-10(12(13)15-2)9-6-4-5-7-11(9)14/h4-8,13H,3H2,1-2H3
- InChI Key： XVMCBDDAFOLOPV-UHFFFAOYSA-N
- SMILES： N1(CC)C2=C(C=CC=C2)C(C(=N)OC)=C1
Computed Properties
- Exact Mass: 202.111
- Monoisotopic Mass: 202.111
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 242
- 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
- Topological Polar Surface Area: 38A^2
1H-Indole-3-carboximidicacid, 1-ethyl-, methyl ester Related Literature
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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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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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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