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13328-85-3,MFCD00457636
Catalog No.:AA0014G4

13328-85-3 | 3,4-Dihydro-1h-2-benzopyran-1-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$108.00   $76.00
- +
1g
≥ 99% (Assay)
in stock  
$571.00   $400.00
- +
5g
≥ 99% (Assay)
in stock  
$2,229.00   $1,560.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0014G4
Chemical Name:
3,4-Dihydro-1h-2-benzopyran-1-carboxylic acid
CAS Number:
13328-85-3
Molecular Formula:
C10H10O3
Molecular Weight:
178.1846
MDL Number:
MFCD00457636
SMILES:
OC(=O)C1OCCc2c1cccc2
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:
1.4  

Downstream Synthesis Route

[1]Yamato;Hashigaki;Ishikawa;Kokubu;Inoue;Tsuruo;Tashiro[JournalofMedicinalChemistry,1985,vol.28,#8,p.1026-1031]

13328-85-3    5497-76-7    543-27-1   
DL-Isochroman-1-carbonyl-L-prolinet-butylester 

[1]Patent:US5760235,1998,A

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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Tags:13328-85-3 Molecular Formula|13328-85-3 MDL|13328-85-3 SMILES|13328-85-3 3,4-Dihydro-1h-2-benzopyran-1-carboxylic acid