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14504-07-5,MFCD05664042
Catalog No.:AA001KFN

14504-07-5 | Benzoic acid, 2-(acetyloxy)-4-methyl-

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100mg
96%
in stock  
$140.00   $98.00
- +
250mg
96%
in stock  
$208.00   $146.00
- +
1g
96%
in stock  
$496.00   $347.00
- +
5g
96%
in stock  
$1,932.00   $1,353.00
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10g
96%
in stock  
$2,863.00   $2,004.00
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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:
AA001KFN
Chemical Name:
Benzoic acid, 2-(acetyloxy)-4-methyl-
CAS Number:
14504-07-5
Molecular Formula:
C10H10O4
Molecular Weight:
194.1840
MDL Number:
MFCD05664042
SMILES:
CC(=O)Oc1cc(C)ccc1C(=O)O
Properties
Properties
 
Form:
Solid  

Computed Properties
 
Complexity:
236  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
1.6  

Downstream Synthesis Route

[1]CurrentPatentAssignee:UNIVERSITÄTZUKÖLN-WO2015/44177,2015,A1Locationinpatent:Page/Pagecolumn25

[2]Chuit;Bolsing[BulletindelaSocieteChimiquedeFrance,1906,vol.<3>35,p.142]

[3]CurrentPatentAssignee:BAYERAG-DE386679,1923,C[Fortschr.Teerfarbenfabr.Verw.Industriezweige,vol.14,p.1239][Fortschr.Teerfarbenfabr.Verw.Industriezweige,vol.14,p.1239]

[4]Chuit;Bolsing[BulletindelaSocieteChimiquedeFrance,1906,vol.<3>35,p.142]

[5]CurrentPatentAssignee:BAYERAG-DE386679,1923,C[Fortschr.Teerfarbenfabr.Verw.Industriezweige,vol.14,p.1239][Fortschr.Teerfarbenfabr.Verw.Industriezweige,vol.14,p.1239]

[6]Anschuetz;Gross[ChemischeBerichte,1944,vol.77/79,p.644,647]

[7]Yamamoto,Satoshi;Hashiguchi,Shohei;Miki,Shokyo;Igata,Yumiko;Watanabe,Toshifumi;Shiraishi,Mitsuru[ChemicalandPharmaceuticalBulletin,1996,vol.44,#4,p.734-745]

[8]Yu,Kuo-Long;Ruediger,Edward;Luo,Guangxiang;Cianci,Christopher;Danetz,Stephanie;Tiley,Laurence;Trehan,AshokK.;Monkovic,Ivo;Pearce,Bradley;Martel,Alain;Krystal,Mark;Meanwell,NicholasA.[BioorganicandMedicinalChemistryLetters,1999,vol.9,#15,p.2177-2180]

[9]Spencer,JeffreyR;McGee,Danny;Allen,Darin;Katz,BradleyA;Luong,Christine;Sendzik,Martin;Squires,Neil;Mackman,RichardL[BioorganicandMedicinalChemistryLetters,2002,vol.12,#15,p.2023-2026]

[10]Shrestha,Suja;Bhattarai,BharatRaj;Kafle,Bhooshan;Lee,Keun-Hyeung;Cho,Hyeongjin[BioorganicandMedicinalChemistry,2008,vol.16,#18,p.8643-8652]

[11]Liu,Yanfei;Long,Shuo;Zhang,Shanshan;Tan,Yifu;Wang,Ting;Wu,Yuwei;Jiang,Ting;Liu,Xiaoqin;Peng,Dongming;Liu,Zhenbao[RSCAdvances,2021,vol.11,#29,p.17611-17621]

[12]Baecker,Daniel;Sagasser,Jessica;Karaman,Serhat;Hörmann,AntonAmadeus;Gust,Ronald[ArchivderPharmazie,2022,vol.355,#2]

[1]Yamamoto,Satoshi;Hashiguchi,Shohei;Miki,Shokyo;Igata,Yumiko;Watanabe,Toshifumi;Shiraishi,Mitsuru[ChemicalandPharmaceuticalBulletin,1996,vol.44,#4,p.734-745]

Literature
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SDS
Tags:14504-07-5 Molecular Formula|14504-07-5 MDL|14504-07-5 SMILES|14504-07-5 Benzoic acid, 2-(acetyloxy)-4-methyl-