Cas no 51079-97-1 (2,4,6,8-Nonatetraenal, 9-(4-methoxyphenyl)-)
51079-97-1 structure
Product Name:2,4,6,8-Nonatetraenal, 9-(4-methoxyphenyl)-
CAS No:51079-97-1
MF:C16H16O2
MW:240.297044754028
CID:363322
PubChem ID:53996864
Update Time:2025-04-19
2,4,6,8-Nonatetraenal, 9-(4-methoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2,4,6,8-Nonatetraenal, 9-(4-methoxyphenyl)-
- 9-(4-methoxyphenyl)nona-2,4,6,8-tetraenal
- 51079-97-1
- DTXSID20708253
-
- Inchi： 1S/C16H16O2/c1-18-16-12-10-15(11-13-16)9-7-5-3-2-4-6-8-14-17/h2-14H,1H3
- InChI Key： KITDDEBRXBWIDA-UHFFFAOYSA-N
- SMILES： O(C)C1C=CC(C=CC=CC=CC=CC=O)=CC=1
Computed Properties
- Exact Mass: 240.11508
- Monoisotopic Mass: 240.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 6
- Complexity: 329
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 4
- XLogP3: 3.7
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
2,4,6,8-Nonatetraenal, 9-(4-methoxyphenyl)- Related Literature
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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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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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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