Cas no 260980-91-4 (2,4-Pentadienal, 5-(2,4-dimethoxyphenyl)-)
260980-91-4 structure
Product Name:2,4-Pentadienal, 5-(2,4-dimethoxyphenyl)-
CAS No:260980-91-4
MF:C13H14O3
MW:218.248464107513
CID:1425259
PubChem ID:54340053
Update Time:2025-04-20
2,4-Pentadienal, 5-(2,4-dimethoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2,4-Pentadienal, 5-(2,4-dimethoxyphenyl)-
- 260980-91-4
- DTXSID401279070
- 5-(2,4-Dimethoxyphenyl)-2,4-pentadienal
-
- Inchi： 1S/C13H14O3/c1-15-12-8-7-11(13(10-12)16-2)6-4-3-5-9-14/h3-10H,1-2H3
- InChI Key： TYGXSHPSYHHQRO-UHFFFAOYSA-N
- SMILES： O(C)C1C=C(C=CC=1C=CC=CC=O)OC
Computed Properties
- Exact Mass: 218.09432
- Monoisotopic Mass: 218.094294304g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 258
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 2
- XLogP3: 2.4
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
2,4-Pentadienal, 5-(2,4-dimethoxyphenyl)- Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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