Cas no 79754-38-4 (1H-Pyrrole-2,4-dicarboxylicacid, 5-formyl-3-methyl-)
79754-38-4 structure
Product Name:1H-Pyrrole-2,4-dicarboxylicacid, 5-formyl-3-methyl-
CAS No:79754-38-4
MF:C8H7NO5
MW:197.144882440567
CID:556218
PubChem ID:24728595
Update Time:2025-04-19
1H-Pyrrole-2,4-dicarboxylicacid, 5-formyl-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-2,4-dicarboxylicacid, 5-formyl-3-methyl-
- 5-FORMYL-3-METHYL-1H-PYRROLE-2,4-DICARBOXYLIC ACID
- 1H-Pyrrole-2,4-dicarboxylicacid,5-formyl-3-methyl
- 2,4-Pyrroledicarboxylicacid,5-formyl-3-methyl-(3CI)
- 2-formyl-4-methylpyrrole-3,5-dicarboxylic acid
- 3,5-Dicarboxy-2-formyl-4-methyl-pyrrol
- 5-Formyl-3-methyl-1H-pyrrole-2,4-decarboxylic acid
- 5-Formyl-3-methyl-pyrrol-2,4-dicarbonsaeure
- 5-formyl-3-methyl-pyrrole-2,4-dicarboxylic acid
- Pyrrole-2,4-dicarboxylic acid,5-formyl-3-methyl-(7CI)
- AKOS006285471
- 2,3-DICHLORO-4-[2-(4-NITROPHENYL)HYDRAZONO]BUT-2-ENOICACID
- DTXSID80646425
- FT-0718775
- 79754-38-4
-
- Inchi： 1S/C8H7NO5/c1-3-5(7(11)12)4(2-10)9-6(3)8(13)14/h2,9H,1H3,(H,11,12)(H,13,14)
- InChI Key： HHNXNXMHDXRXPX-UHFFFAOYSA-N
- SMILES： OC(C1=C(C=O)NC(C(=O)O)=C1C)=O
Computed Properties
- Exact Mass: 197.03200
- Monoisotopic Mass: 197.03242232g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 277
- 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: 0.3
- Topological Polar Surface Area: 108?2
Experimental Properties
- PSA: 107.46000
- LogP: 0.53200
1H-Pyrrole-2,4-dicarboxylicacid, 5-formyl-3-methyl- Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
79754-38-4 (1H-Pyrrole-2,4-dicarboxylicacid, 5-formyl-3-methyl-) Related Products
- 89-00-9(Quinolinic acid)
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- 89776-55-6(3,4-Dimethyl-1H-pyrrole-2-carboxylic acid)
- 53636-65-0(5-Methylpyridine-2,3-dicarboxylic acid)
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- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
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