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16817-32-6,MFCD02182434
Catalog No.:AA001XTE

16817-32-6 | 3,5-Dimethyl-1-benzofuran-2-carboxylic acid

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Purity
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Price(USD)
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250mg
95%
in stock  
$53.00   $37.00
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1g
95%
in stock  
$107.00   $75.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA001XTE
Chemical Name:
3,5-Dimethyl-1-benzofuran-2-carboxylic acid
CAS Number:
16817-32-6
Molecular Formula:
C11H10O3
Molecular Weight:
190.1953
MDL Number:
MFCD02182434
SMILES:
Cc1ccc2c(c1)c(C)c(o2)C(=O)O
Properties
Properties
 
BP:
345.1°C at 760 mmHg  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
239  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
2.9  

Downstream Synthesis Route

[1]Dey[JournaloftheChemicalSociety,1915,vol.107,p.1637]

[1]Hantzsch;Lang[ChemischeBerichte,1886,vol.19,p.1299]

[1]Hantzsch;Lang[ChemischeBerichte,1886,vol.19,p.1299]

[2]Sila,B.[RocznikiChemii,1967,vol.41,#1,p.157-162]

[1]Sila,B.[RocznikiChemii,1967,vol.41,#1,p.157-162]

[2]Li,Xiang;Zhou,Bo;Yang,Run-Ze;Yang,Fu-Ming;Liang,Ren-Xiao;Liu,Ren-Rong;Jia,Yi-Xia[JournaloftheAmericanChemicalSociety,2018,vol.140,#42,p.13945-13951]

[3]CurrentPatentAssignee:CHINESEACADEMYOFSCIENCES;ShanghaiInstituteofMateriaMedica(in:CAS)-EP3470415,2019,A1Locationinpatent:Paragraph0182;0183

[1]Suzuki;Horaguchi;Shimizu;Abe[BulletinoftheChemicalSocietyofJapan,1983,vol.56,#9,p.2762-2767]

Literature
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SDS
Tags:16817-32-6 Molecular Formula|16817-32-6 MDL|16817-32-6 SMILES|16817-32-6 3,5-Dimethyl-1-benzofuran-2-carboxylic acid