Cas no 89267-93-6 (1H-Pyrrole-3-carboxaldehyde, 2,5-dihydro-5-oxo-)
89267-93-6 structure
Product Name:1H-Pyrrole-3-carboxaldehyde, 2,5-dihydro-5-oxo-
CAS No:89267-93-6
MF:C5H5NO2
MW:111.098701238632
CID:606002
PubChem ID:13794993
Update Time:2025-04-19
1H-Pyrrole-3-carboxaldehyde, 2,5-dihydro-5-oxo- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-3-carboxaldehyde, 2,5-dihydro-5-oxo-
- 5-oxo-1,2-dihydropyrrole-3-carbaldehyde
- 89267-93-6
- DTXSID00549681
- 5-Oxo-2,5-dihydro-1H-pyrrole-3-carbaldehyde
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- Inchi： 1S/C5H5NO2/c7-3-4-1-5(8)6-2-4/h1,3H,2H2,(H,6,8)
- InChI Key： OBPVAXLFTJBOSB-UHFFFAOYSA-N
- SMILES： O=C1C=C(C=O)CN1
Computed Properties
- Exact Mass: 111.032028402g/mol
- Monoisotopic Mass: 111.032028402g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 1
- Complexity: 160
- 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: 46.2?2
1H-Pyrrole-3-carboxaldehyde, 2,5-dihydro-5-oxo- Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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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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Jason Wan Lab Chip, 2020,20, 4528-4538
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
89267-93-6 (1H-Pyrrole-3-carboxaldehyde, 2,5-dihydro-5-oxo-) Related Products
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- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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