Cas no 923293-04-3 (2-Propenal, 3-(5-methoxy-1H-indol-3-yl)-, (2E)-)
923293-04-3 structure
Product Name:2-Propenal, 3-(5-methoxy-1H-indol-3-yl)-, (2E)-
CAS No:923293-04-3
MF:C12H11NO2
MW:201.221243143082
CID:737588
PubChem ID:89042152
Update Time:2025-04-19
2-Propenal, 3-(5-methoxy-1H-indol-3-yl)-, (2E)- Chemical and Physical Properties
Names and Identifiers
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- 2-Propenal, 3-(5-methoxy-1H-indol-3-yl)-, (2E)-
- 3-(5-methoxy-1H-indol-3-yl)prop-2-enal
- 923293-04-3
- SCHEMBL13240227
- (E)-3-(5-Methoxy-1H-indol-3-yl)acrylaldehyde
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- Inchi： 1S/C12H11NO2/c1-15-10-4-5-12-11(7-10)9(8-13-12)3-2-6-14/h2-8,13H,1H3/b3-2+
- InChI Key： ONSRRKPJZKYJJU-NSCUHMNNSA-N
- SMILES： O(C)C1C=CC2=C(C=1)C(/C=C/C=O)=CN2
Computed Properties
- Exact Mass: 201.078978594g/mol
- Monoisotopic Mass: 201.078978594g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 252
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.9
- Topological Polar Surface Area: 42.1?2
2-Propenal, 3-(5-methoxy-1H-indol-3-yl)-, (2E)- Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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