Cas no 81826-92-8 (2-Butenal, 3-(2-naphthalenyl)-, (E)-)
81826-92-8 structure
Product Name:2-Butenal, 3-(2-naphthalenyl)-, (E)-
CAS No:81826-92-8
MF:C14H12O
MW:196.244483947754
CID:702870
PubChem ID:71420800
Update Time:2025-04-19
2-Butenal, 3-(2-naphthalenyl)-, (E)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenal, 3-(2-naphthalenyl)-, (E)-
- 3-naphthalen-2-ylbut-2-enal
- 81826-92-8
- 3-(Naphthalen-2-yl)but-2-enal
- DTXSID90839982
- SCHEMBL5448716
-
- Inchi： 1S/C14H12O/c1-11(8-9-15)13-7-6-12-4-2-3-5-14(12)10-13/h2-10H,1H3
- InChI Key： WJMGHBRPSFCVTG-UHFFFAOYSA-N
- SMILES： O=CC=C(C)C1C=CC2C=CC=CC=2C=1
Computed Properties
- Exact Mass: 196.088815002g/mol
- Monoisotopic Mass: 196.088815002g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 254
- 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: 4
- Topological Polar Surface Area: 17.1?2
2-Butenal, 3-(2-naphthalenyl)-, (E)- Related Literature
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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