Cas no 24445-11-2 (1H-Pyrrole-3-carboxaldehyde,4-acetyl-)
24445-11-2 structure
Product Name:1H-Pyrrole-3-carboxaldehyde,4-acetyl-
CAS No:24445-11-2
MF:C7H7NO2
MW:137.135981798172
CID:240646
PubChem ID:45085495
Update Time:2025-04-19
1H-Pyrrole-3-carboxaldehyde,4-acetyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-3-carboxaldehyde,4-acetyl-
- Pyrrole-3-carboxaldehyde,4-acetyl- (8CI)
- 4-acetyl-1H-pyrrole-3-carbaldehyde
- 24445-11-2
- DTXSID50665825
- AKOS006357361
-
- Inchi： 1S/C7H7NO2/c1-5(10)7-3-8-2-6(7)4-9/h2-4,8H,1H3
- InChI Key： ORUDJQBGSUIFRQ-UHFFFAOYSA-N
- SMILES： O=C(C)C1=CNC=C1C=O
Computed Properties
- Exact Mass: 137.04771
- Monoisotopic Mass: 137.048
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 156
- 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: 49.9A^2
- XLogP3: -0.1
Experimental Properties
- PSA: 49.93
1H-Pyrrole-3-carboxaldehyde,4-acetyl- Related Literature
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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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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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
24445-11-2 (1H-Pyrrole-3-carboxaldehyde,4-acetyl-) Related Products
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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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