Cas no 473883-20-4 (indole-2,4-dicarboxylic acid 2-ethyl 4-methyl ester)
473883-20-4 structure
Product Name:indole-2,4-dicarboxylic acid 2-ethyl 4-methyl ester
CAS No:473883-20-4
MF:C13H13NO4
MW:247.246623754501
CID:930945
PubChem ID:12032153
Update Time:2025-04-19
indole-2,4-dicarboxylic acid 2-ethyl 4-methyl ester Chemical and Physical Properties
Names and Identifiers
-
- indole-2,4-dicarboxylic acid 2-ethyl 4-methyl ester
- 2-O-ethyl 4-O-methyl 1H-indole-2,4-dicarboxylate
- INDOLE-2,4-DICARBOXYLIC ACID 2-ETHYL ESTER 4-METHYL ESTER
- 4-METHOXYCARBONYLINDOLE-2-CARBOXYLIC ACID ETHYL ESTER
- ethyl 4-methoxycarbonylindole-2-carboxylate
- 2-ethyl4-methyl1H-indole-2,4-dicarboxylate
- DTXSID70476192
- 473883-20-4
- 4-Methoxycarbonylindole-2-carboxylic acidethyl ester
- 2-ethyl 4-methyl 1H-indole-2,4-dicarboxylate
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- Inchi： 1S/C13H13NO4/c1-3-18-13(16)11-7-9-8(12(15)17-2)5-4-6-10(9)14-11/h4-7,14H,3H2,1-2H3
- InChI Key： FQDHGBXAWBUTQW-UHFFFAOYSA-N
- SMILES： O(CC)C(C1=CC2C(C(=O)OC)=CC=CC=2N1)=O
Computed Properties
- Exact Mass: 247.08400
- Monoisotopic Mass: 247.08445790g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 5
- Complexity: 331
- 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: 2.5
- Topological Polar Surface Area: 68.4?2
Experimental Properties
- PSA: 68.39000
- LogP: 2.13120
indole-2,4-dicarboxylic acid 2-ethyl 4-methyl ester Related Literature
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1. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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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
473883-20-4 (indole-2,4-dicarboxylic acid 2-ethyl 4-methyl ester) Related Products
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