Cas no 20175-19-3 (2-benzylidenenonanal)
2-benzylidenenonanal structure
Product Name:2-benzylidenenonanal
CAS No:20175-19-3
MF:C16H22O
MW:230.345284938812
CID:1391127
PubChem ID:89284
Update Time:2025-04-20
2-benzylidenenonanal Chemical and Physical Properties
Names and Identifiers
-
- 2-benzylidenenonanal
- nonanal, 2-(phenylmethylene)-
- SCHEMBL9019322
- alpha-Heptylcinnamaldehyde
- Heptylcinnamaldehyde
- 20175-19-3
- a-heptylcinnamaldehyde
- DTXSID2066563
- alpha-heptyl cinnamaldehyde
-
- Inchi: 1S/C16H22O/c1-2-3-4-5-7-12-16(14-17)13-15-10-8-6-9-11-15/h6,8-11,13-14H,2-5,7,12H2,1H3
- InChI Key: VXDUTTLHVAAEFQ-UHFFFAOYSA-N
- SMILES: O=CC(=CC1C=CC=CC=1)CCCCCCC
Computed Properties
- Exact Mass: 230.16716
- Monoisotopic Mass: 230.167065321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 17
- Rotatable Bond Count: 8
- Complexity: 224
- 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
- XLogP3: 5.3
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
2-benzylidenenonanal Related Literature
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
20175-19-3 (2-benzylidenenonanal) Related Products
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