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115822-57-6,MFCD03783554
Catalog No.:AA000GTY

115822-57-6 | 3-Chromanecarboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
96%
in stock  
$6.00   $4.00
- +
100mg
96%
in stock  
$8.00   $6.00
- +
250mg
96%
in stock  
$19.00   $14.00
- +
1g
96%
in stock  
$28.00   $20.00
- +
5g
98%
in stock  
$108.00   $76.00
- +
25g
98%
in stock  
$442.00   $310.00
- +
100g
98%
in stock  
$1,402.00   $982.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA000GTY
Chemical Name:
3-Chromanecarboxylic acid
CAS Number:
115822-57-6
Molecular Formula:
C10H10O3
Molecular Weight:
178.1846
MDL Number:
MFCD03783554
SMILES:
OC(=O)C1COc2c(C1)cccc2
Properties
Computed Properties
 
Complexity:
202  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
1  
XLogP3:
1.5  

Downstream Synthesis Route

[1]EuropeanJournalofMedicinalChemistry,1987,vol.22,p.539-544

[2]BioorganicandMedicinalChemistry,2019,vol.27,p.1382-1390

[1]Mouysset,Genevieve;Payard,Marc;Grassy,Gerard;Tronche,Pierre;Dabire,Hubert;etal.[EuropeanJournalofMedicinalChemistry,1987,vol.22,p.539-544]

[1]EuropeanJournalofMedicinalChemistry,1987,vol.22,p.539-544

[2]JournalofOrganicChemistry,2015,vol.80,p.2339-2355

[3]Patent:WO2020/140050,2020,A1.Locationinpatent:Page/Pagecolumn104

[1]Mabire,Dominique;Coupa,Sophie;Adelinet,Christophe;Poncelet,Alain;Simonnet,Yvan;Venet,Marc;Wouters,Ria;Lesage,AnneS.J.;VanBeijsterveldt,Ludy;Bischoff,François[JournalofMedicinalChemistry,2005,vol.48,#6,p.2134-2153]

[1]Mabire,Dominique;Coupa,Sophie;Adelinet,Christophe;Poncelet,Alain;Simonnet,Yvan;Venet,Marc;Wouters,Ria;Lesage,AnneS.J.;VanBeijsterveldt,Ludy;Bischoff,François[JournalofMedicinalChemistry,2005,vol.48,#6,p.2134-2153]

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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SDS
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