Cas no 179122-02-2 (1H-Pyrrole-2-carboxylicacid, 1-ethyl-5-methyl-, methyl ester)
179122-02-2 structure
Product Name:1H-Pyrrole-2-carboxylicacid, 1-ethyl-5-methyl-, methyl ester
CAS No:179122-02-2
MF:C9H13NO2
MW:167.205022573471
CID:113102
PubChem ID:45082637
Update Time:2024-02-29
1H-Pyrrole-2-carboxylicacid, 1-ethyl-5-methyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
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- 1H-Pyrrole-2-carboxylicacid, 1-ethyl-5-methyl-, methyl ester
- 1H-Pyrrole-2-carboxylicacid,1-ethyl-5-methyl-,methylester(9CI)
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- Inchi： 1S/C9H13NO2/c1-4-10-7(2)5-6-8(10)9(11)12-3/h5-6H,4H2,1-3H3
- InChI Key： FOBDMYIXXLRITC-UHFFFAOYSA-N
- SMILES： O(C)C(C1=CC=C(C)N1CC)=O
Computed Properties
- Exact Mass: 167.095
- Monoisotopic Mass: 167.095
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 170
- 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: 31.2A^2
- XLogP3: 1.5
1H-Pyrrole-2-carboxylicacid, 1-ethyl-5-methyl-, methyl ester Related Literature
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Pavel Karásek,Jakub Grym,Michal Roth,Josef Planeta,Franti?ek Foret Lab Chip, 2015,15, 311-318
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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