Cas no 183268-98-6 (1H-Pyrrole-2-carboxylicacid, 5-ethyl-1-methyl-4-nitro-)
183268-98-6 structure
Product Name:1H-Pyrrole-2-carboxylicacid, 5-ethyl-1-methyl-4-nitro-
CAS No:183268-98-6
MF:C8H10N2O4
MW:198.176002025604
CID:114033
PubChem ID:820845
Update Time:2025-04-18
1H-Pyrrole-2-carboxylicacid, 5-ethyl-1-methyl-4-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-2-carboxylicacid, 5-ethyl-1-methyl-4-nitro-
- 5-ethyl-1-methyl-4-nitropyrrole-2-carboxylic acid
- 1H-Pyrrole-2-carboxylicacid,5-ethyl-1-methyl-4-nitro-(9CI)
- 183268-98-6
- 5-Ethyl-1-methyl-4-nitro-1H-pyrrole-2-carboxylic acid
- AKOS006346034
- DTXSID40356250
-
- Inchi： 1S/C8H10N2O4/c1-3-5-6(10(13)14)4-7(8(11)12)9(5)2/h4H,3H2,1-2H3,(H,11,12)
- InChI Key： ROGUNCBUQPWHNZ-UHFFFAOYSA-N
- SMILES： OC(C1=CC(=C(CC)N1C)[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 198.06405680g/mol
- Monoisotopic Mass: 198.06405680g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 250
- 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: 1.2
- Topological Polar Surface Area: 88?2
1H-Pyrrole-2-carboxylicacid, 5-ethyl-1-methyl-4-nitro- Related Literature
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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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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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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