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1113001-76-5,MFCD27987017
Catalog No.:AA00HC24

1113001-76-5 | Bicyclo[1.1.1]pentane-1-acetic acid, 3-carboxy-, 1-(1,1-dimethylethyl) ester

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$493.00   $345.00
- +
250mg
95%
in stock  
$942.00   $660.00
- +
500mg
95%
in stock  
$1,569.00   $1,098.00
- +
1g
95%
in stock  
$2,352.00   $1,646.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00HC24
Chemical Name:
Bicyclo[1.1.1]pentane-1-acetic acid, 3-carboxy-, 1-(1,1-dimethylethyl) ester
CAS Number:
1113001-76-5
Molecular Formula:
C12H18O4
Molecular Weight:
226.2689
MDL Number:
MFCD27987017
SMILES:
O=C(CC12CC(C1)(C2)C(=O)O)OC(C)(C)C
Properties
Computed Properties
 
Complexity:
331  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
5  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.1  

Downstream Synthesis Route

[1]Filosa,Rosanna;CarmelaFulco;Marinozzi,Maura;Giacche,Nicola;Macchiarulo,Antonio;Peduto,Antonella;Massa,Antonio;deCaprariis,Paolo;Thomsen,Christian;Christoffersen,ClausT.;Pellicciari,Roberto[BioorganicandMedicinalChemistry,2009,vol.17,#1,p.242-250]

Literature
Quotation Request
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Additional Info:
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SDS
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Tags:1113001-76-5 Molecular Formula|1113001-76-5 MDL|1113001-76-5 SMILES|1113001-76-5 Bicyclo[1.1.1]pentane-1-acetic acid, 3-carboxy-, 1-(1,1-dimethylethyl) ester
Catalog No.: AA00HC24
1113001-76-5,MFCD27987017
1113001-76-5 | Bicyclo[1.1.1]pentane-1-acetic acid, 3-carboxy-, 1-(1,1-dimethylethyl) ester
Pack Size： 100mg
Purity： 95%
in stock
$493.00 $345.00
Pack Size： 250mg
Purity： 95%
in stock
$942.00 $660.00
Pack Size： 500mg
Purity： 95%
in stock
$1,569.00 $1,098.00
Pack Size： 1g
Purity： 95%
in stock
$2,352.00 $1,646.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA00HC24
Chemical Name: Bicyclo[1.1.1]pentane-1-acetic acid, 3-carboxy-, 1-(1,1-dimethylethyl) ester
CAS Number: 1113001-76-5
Molecular Formula: C12H18O4
Molecular Weight: 226.2689
MDL Number: MFCD27987017
SMILES: O=C(CC12CC(C1)(C2)C(=O)O)OC(C)(C)C
Properties
Complexity: 331  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 16  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 5  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.1  
Downstream Synthesis Route
1113001-63-0    1113001-76-5 

[1]Filosa,Rosanna;CarmelaFulco;Marinozzi,Maura;Giacche,Nicola;Macchiarulo,Antonio;Peduto,Antonella;Massa,Antonio;deCaprariis,Paolo;Thomsen,Christian;Christoffersen,ClausT.;Pellicciari,Roberto[BioorganicandMedicinalChemistry,2009,vol.17,#1,p.242-250]

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