Cas no 169376-25-4 (1H-Pyrrole-2-carboxaldehyde,1-(2-buten-1-yl)-)
169376-25-4 structure
Product Name:1H-Pyrrole-2-carboxaldehyde,1-(2-buten-1-yl)-
CAS No:169376-25-4
MF:C9H11NO
MW:149.189742326736
CID:111179
PubChem ID:64248017
Update Time:2025-04-18
1H-Pyrrole-2-carboxaldehyde,1-(2-buten-1-yl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-2-carboxaldehyde,1-(2-buten-1-yl)-
- 1H-Pyrrole-2-carboxaldehyde, 1-(2-butenyl)- (9CI)
- 169376-25-4
- 1-(But-2-en-1-yl)-1H-pyrrole-2-carbaldehyde
-
- Inchi： 1S/C9H11NO/c1-2-3-6-10-7-4-5-9(10)8-11/h2-5,7-8H,6H2,1H3/b3-2+
- InChI Key： RKCFLNOCOJOLCN-NSCUHMNNSA-N
- SMILES： O=CC1=CC=CN1C/C=C/C
Computed Properties
- Exact Mass: 149.08413
- Monoisotopic Mass: 149.084
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 154
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- Topological Polar Surface Area: 22A^2
- XLogP3: 1.4
Experimental Properties
- PSA: 22
1H-Pyrrole-2-carboxaldehyde,1-(2-buten-1-yl)- Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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