Cas no 280748-43-8 (1H-Pyrrole-2-carboxylicacid, 5-formyl-4-methyl-)
280748-43-8 structure
Product Name:1H-Pyrrole-2-carboxylicacid, 5-formyl-4-methyl-
CAS No:280748-43-8
MF:C7H7NO3
MW:153.135381937027
CID:248290
PubChem ID:9898884
Update Time:2025-04-19
1H-Pyrrole-2-carboxylicacid, 5-formyl-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-2-carboxylicacid, 5-formyl-4-methyl-
- 5-formyl-4-methyl-1H-pyrrole-2-carboxylic acid
- AKOS006311335
- DTXSID50432493
- SCHEMBL4465333
- 4-methyl-5-formyl-2-pyrrolecarboxylic acid
- 280748-43-8
- KSDGAOCOGSTQKI-UHFFFAOYSA-N
- 4-methyl -5-formyl-2-pyrrolecarboxylic acid
-
- Inchi: 1S/C7H7NO3/c1-4-2-5(7(10)11)8-6(4)3-9/h2-3,8H,1H3,(H,10,11)
- InChI Key: KSDGAOCOGSTQKI-UHFFFAOYSA-N
- SMILES: OC(C1=CC(C)=C(C=O)N1)=O
Computed Properties
- Exact Mass: 152.03478
- Monoisotopic Mass: 153.042593085g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 181
- 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: 70.2?2
Experimental Properties
- Density: 1.414
- Boiling Point: 389.6°Cat760mmHg
- Flash Point: 189.4°C
- Refractive Index: 1.644
- PSA: 67.26
1H-Pyrrole-2-carboxylicacid, 5-formyl-4-methyl- Related Literature
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
-
Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
280748-43-8 (1H-Pyrrole-2-carboxylicacid, 5-formyl-4-methyl-) Related Products
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