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1078-61-1,MFCD00002776
Catalog No.:AA003HYZ

1078-61-1 | 3-(3,4-Dihydroxyphenyl)propanoic acid

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1g
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$18.00   $13.00
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5g
95%
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$23.00   $16.00
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25g
95%
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$97.00   $68.00
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100g
95%
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$355.00   $249.00
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  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
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  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003HYZ
Chemical Name:
3-(3,4-Dihydroxyphenyl)propanoic acid
CAS Number:
1078-61-1
Molecular Formula:
C9H10O4
Molecular Weight:
182.1733
MDL Number:
MFCD00002776
SMILES:
OC(=O)CCc1ccc(c(c1)O)O
Properties
Properties
 
BP:
418℃  
Form:
Solid  
MP:
136-139 °C(lit.)  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
181  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
3  
XLogP3:
-0.5  

Upstream Synthesis Route

[1]JournalofMedicinalChemistry,1991,vol.34,#6,p.1896-1907

[1]AngewandteChemie-InternationalEdition,2017,vol.56,#14,p.4037-4041

[2]Angew.Chem.,2017,vol.129,#14,p.4095-4099,5

[1]JournalofAgriculturalandFoodChemistry,2009,vol.57,#8,p.3356-3362

[1]JournalofAgriculturalandFoodChemistry,2009,vol.57,#8,p.3356-3362

[1]ToxicologyLetters,2002,vol.133,#2-3,p.141-151

Downstream Synthesis Route

[1]Dorrestein,PieterC.;Poole,Keith;Begley,TadhgP.[OrganicLetters,2003,vol.5,#13,p.2215-2217]

[2]Bourne;Golding;McGeary;Meutermans;Jones;Marshall;Alewood;Smythe[JournalofOrganicChemistry,2001,vol.66,#23,p.7706-7713]

[3]CurrentPatentAssignee:NORTHWESTERNUNIVERSITY(ILLINOIS)-US8227628,2012,B2Locationinpatent:Page/Pagecolumn30

[4]CurrentPatentAssignee:UNIVERSITYSYSTEMOFOHIO-WO2016/7943,2016,A1Locationinpatent:Paragraph0097;0098

[5]Vellaisamy,Kasipandi;Li,Guodong;Ko,Chung-Nga;Zhong,Hai-Jing;Fatima,Sarwat;Kwan,Hiu-Yee;Wong,Chun-Yuen;Kwong,Wai-Jing;Tan,Weihong;Leung,Chung-Hang;Ma,Dik-Lung[ChemicalScience,2018,vol.9,#5,p.1119-1125]

[6]CurrentPatentAssignee:JIANGXITRADITIONALCHINESEMEDICINEUNIV-CN114149398,2022,ALocationinpatent:Paragraph0023

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[11]CurrentPatentAssignee:CHANGGUNGUNIVERSITY-US2019/133979,2019,A1Locationinpatent:Paragraph0135-0137

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Tags:1078-61-1 Molecular Formula|1078-61-1 MDL|1078-61-1 SMILES|1078-61-1 3-(3,4-Dihydroxyphenyl)propanoic acid