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120680-98-0,MFCD02244465
Catalog No.:AA00IOZK

120680-98-0 | (2E)-3-(4-ethylphenyl)prop-2-enoic acid

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250mg
98%
1 week  
$20.00   $14.00
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1g
98%
1 week  
$47.00   $33.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00IOZK
Chemical Name:
(2E)-3-(4-ethylphenyl)prop-2-enoic acid
CAS Number:
120680-98-0
Molecular Formula:
C11H12O2
Molecular Weight:
176.2118
MDL Number:
MFCD02244465
SMILES:
CCc1ccc(cc1)/C=C/C(=O)O
Properties
Computed Properties
 
Complexity:
188  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
Undefined Bond Stereocenter Count:
1  
XLogP3:
2.9  

Downstream Synthesis Route
120680-98-0   
(2<i>RS</i>:3<i>SR</i>)-2.3-dibromo-3-(4-ethyl-phenyl)-propionicacid 

[1]Lock;Bayer[ChemischeBerichte,1939,vol.72,p.1064,1067]

[1]Szymanski,Wiktor;Wu,Bian;Weiner,Barbara;DeWildeman,Stefaan;Feringa,BenL.;Janssen,DickB.[JournalofOrganicChemistry,2009,vol.74,#23,p.9152-9157]

[2]Bohman;Nordlander;Nordenhem;Sunnerheim;Borg-Karlson;Unelius[JournalofChemicalEcology,2008,vol.34,#3,p.339-352]

[3]Lock;Bayer[ChemischeBerichte,1939,vol.72,p.1064,1067]

[1]Amino;Kawada;Toi;Kumashiro;Fukushima[ChemicalandPharmaceuticalBulletin,1988,vol.36,#11,p.4426-4434]

[2]Mitsch,Andreas;Wissner,Pia;Boehm,Markus;Silber,Katrin;Klebe,Gerhard;Sattler,Isabel;Schlitzer,Martin[ArchivderPharmazie,2004,vol.337,#9,p.493-501]

[3]Chen,Yong-Jia;Ma,Kun-Yuan;Du,Sha-Sha;Zhang,Zhi-Jun;Wu,Tian-Lin;Sun,Yu;Liu,Ying-Qian;Yin,Xiao-Dan;Zhou,Rui;Yan,Yin-Fang;Wang,Ren-Xuan;He,Ying-Hui;Chu,Qing-Ru;Tang,Chen[JournalofAgriculturalandFoodChemistry,2021,vol.69,#41,p.12156-12170]

[1]Locationinpatent:experimentalpartTeichert,Antje;Pfaltz,Andreas[AngewandteChemie-InternationalEdition,2008,vol.47,#18,p.3360-3362]

[2]Basavaiah,Deevi;JaganmohanRao,Anumolu[SyntheticCommunications,2002,vol.32,#2,p.195-201]

[3]Doherty,ElizabethM.;Fotsch,Christopher;Bo,Yunxin;Chakrabarti,ParthaP.;Chen,Ning;Gavva,Narender;Han,Nianhe;Kelly,MichaelG.;Kincaid,John;Klionsky,Lana;Liu,Qingyian;Ognyanov,VassilI.;Tamir,Rami;Wang,Xianghong;Zhu,Jiawang;Norman,MarkH.;Treanor,JamesJ.S.[JournalofMedicinalChemistry,2005,vol.48,#1,p.71-90]

120680-98-0    22013-33-8   
<i>N</i>-(2,3-dihydro-benzo1,4dioxin-6-yl)-3-(4-ethyl-phenyl)-acrylamide 

[1]Doherty,ElizabethM.;Fotsch,Christopher;Bo,Yunxin;Chakrabarti,ParthaP.;Chen,Ning;Gavva,Narender;Han,Nianhe;Kelly,MichaelG.;Kincaid,John;Klionsky,Lana;Liu,Qingyian;Ognyanov,VassilI.;Tamir,Rami;Wang,Xianghong;Zhu,Jiawang;Norman,MarkH.;Treanor,JamesJ.S.[JournalofMedicinalChemistry,2005,vol.48,#1,p.71-90]

Literature
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Tags:120680-98-0 Molecular Formula|120680-98-0 MDL|120680-98-0 SMILES|120680-98-0 (2E)-3-(4-ethylphenyl)prop-2-enoic acid