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1215494-12-4,MFCD28358652
Catalog No.:AA01FS8Q

1215494-12-4 | 4-(Azetidin-1-yl)benzoic acid

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100mg
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$55.00   $39.00
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  • Downstream Synthesis Route
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA01FS8Q
Chemical Name:
4-(Azetidin-1-yl)benzoic acid
CAS Number:
1215494-12-4
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
MDL Number:
MFCD28358652
SMILES:
OC(=O)c1ccc(cc1)N1CCC1
Properties
Computed Properties
 
Complexity:
193  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
1.7  

Downstream Synthesis Route

[1]Shao,Jingwei;Zhu,Kongkai;Du,Daohai;Zhang,Yuanyuan;Tao,Hongrui;Chen,Zhifeng;Jiang,Hualiang;Chen,Kaixian;Luo,Cheng;Duan,Wenhu[EuropeanJournalofMedicinalChemistry,2019,vol.164,p.317-333]

[1]CurrentPatentAssignee:ROCHEHOLDINGAG-WO2019/72785,2019,A1Locationinpatent:Page/Pagecolumn197

[1]CurrentPatentAssignee:ROCHEHOLDINGAG-WO2019/72785,2019,A1

451-46-7   
CASUnavailable 
  1215494-12-4 

[1]Helmstädter,Moritz;Kaiser,Astrid;Brunst,Steffen;Schmidt,Jurema;Ronchetti,Riccardo;Weizel,Lilia;Proschak,Ewgenij;Merk,Daniel[JournalofMedicinalChemistry,2021,vol.64,#13,p.9525-9536]

[1]Helmstädter,Moritz;Kaiser,Astrid;Brunst,Steffen;Schmidt,Jurema;Ronchetti,Riccardo;Weizel,Lilia;Proschak,Ewgenij;Merk,Daniel[JournalofMedicinalChemistry,2021,vol.64,#13,p.9525-9536]

Literature
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SDS
Tags:1215494-12-4 Molecular Formula|1215494-12-4 MDL|1215494-12-4 SMILES|1215494-12-4 4-(Azetidin-1-yl)benzoic acid