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121625-80-7,MFCD03861577
Catalog No.:AA0015D9

121625-80-7 | 3,6,6-Trimethyl-4-oxo-4,5,6,7-tetrahydrobenzofuran-2-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%+
2 weeks  
$429.00   $300.00
- +
500mg
95%+
2 weeks  
$623.00   $436.00
- +
1g
95%+
2 weeks  
$943.00   $660.00
- +
2.5g
95%+
2 weeks  
$1,743.00   $1,220.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0015D9
Chemical Name:
3,6,6-Trimethyl-4-oxo-4,5,6,7-tetrahydrobenzofuran-2-carboxylic acid
CAS Number:
121625-80-7
Molecular Formula:
C12H14O4
Molecular Weight:
222.2372
MDL Number:
MFCD03861577
SMILES:
O=C1CC(C)(C)Cc2c1c(C)c(o2)C(=O)O
Properties
Computed Properties
 
Complexity:
334  
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:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.2  

Literature

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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SDS
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Tags:121625-80-7 Molecular Formula|121625-80-7 MDL|121625-80-7 SMILES|121625-80-7 3,6,6-Trimethyl-4-oxo-4,5,6,7-tetrahydrobenzofuran-2-carboxylic acid
Catalog No.: AA0015D9
121625-80-7,MFCD03861577
121625-80-7 | 3,6,6-Trimethyl-4-oxo-4,5,6,7-tetrahydrobenzofuran-2-carboxylic acid
Pack Size： 250mg
Purity： 95%+
2 weeks
$429.00 $300.00
Pack Size： 500mg
Purity： 95%+
2 weeks
$623.00 $436.00
Pack Size： 1g
Purity： 95%+
2 weeks
$943.00 $660.00
Pack Size： 2.5g
Purity： 95%+
2 weeks
$1,743.00 $1,220.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA0015D9
Chemical Name: 3,6,6-Trimethyl-4-oxo-4,5,6,7-tetrahydrobenzofuran-2-carboxylic acid
CAS Number: 121625-80-7
Molecular Formula: C12H14O4
Molecular Weight: 222.2372
MDL Number: MFCD03861577
SMILES: O=C1CC(C)(C)Cc2c1c(C)c(o2)C(=O)O
Properties
Complexity: 334  
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: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.2  
Literature fold

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology20060501

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