Cas no 111260-65-2 (2,4,6-Heptatrienal, 7-(2-thienyl)-)
111260-65-2 structure
Product Name:2,4,6-Heptatrienal, 7-(2-thienyl)-
CAS No:111260-65-2
MF:C11H10OS
MW:190.261501789093
CID:1197284
PubChem ID:71335518
Update Time:2025-04-20
2,4,6-Heptatrienal, 7-(2-thienyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2,4,6-Heptatrienal, 7-(2-thienyl)-
- 7-thiophen-2-ylhepta-2,4,6-trienal
- 7-(THIOPHEN-2-YL)HEPTA-2,4,6-TRIENAL
- DTXSID60763467
- 111260-65-2
-
- Inchi： 1S/C11H10OS/c12-9-5-3-1-2-4-7-11-8-6-10-13-11/h1-10H
- InChI Key： LKLWJCRDVBDSIJ-UHFFFAOYSA-N
- SMILES： S1C=CC=C1C=CC=CC=CC=O
Computed Properties
- Exact Mass: 190.0453
- Monoisotopic Mass: 190.04523611g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 228
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 3
- XLogP3: 2.8
- Topological Polar Surface Area: 45.3?2
Experimental Properties
- PSA: 17.07
2,4,6-Heptatrienal, 7-(2-thienyl)- Related Literature
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
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