Cas no 61493-66-1 (Benzaldehyde, 3-(2-butenyloxy)-)
61493-66-1 structure
Product Name:Benzaldehyde, 3-(2-butenyloxy)-
CAS No:61493-66-1
MF:C11H12O2
MW:176.211783409119
CID:477393
PubChem ID:57240331
Update Time:2025-04-19
Benzaldehyde, 3-(2-butenyloxy)- Chemical and Physical Properties
Names and Identifiers
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- Benzaldehyde, 3-(2-butenyloxy)-
- 3-but-2-enoxybenzaldehyde
- DTXSID20720632
- 3-[(But-2-en-1-yl)oxy]benzaldehyde
- 61493-66-1
-
- Inchi： 1S/C11H12O2/c1-2-3-7-13-11-6-4-5-10(8-11)9-12/h2-6,8-9H,7H2,1H3
- InChI Key： QRDVXBUAVNLNSJ-UHFFFAOYSA-N
- SMILES： O(CC=CC)C1C=CC=C(C=O)C=1
Computed Properties
- Exact Mass: 176.08376
- Monoisotopic Mass: 176.083729621g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 175
- 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: 2.2
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Benzaldehyde, 3-(2-butenyloxy)- Related Literature
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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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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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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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
61493-66-1 (Benzaldehyde, 3-(2-butenyloxy)-) Related Products
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