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856869-57-3
Catalog No.:AA01E5F2

856869-57-3 | Mono-7-carboxyheptylPhthalate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
25mg
3 weeks  
$520.00   $364.00
- +
250mg
3 weeks  
$2,725.00   $1,907.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA01E5F2
Chemical Name:
Mono-7-carboxyheptylPhthalate
CAS Number:
856869-57-3
Molecular Formula:
C16H20O6
Molecular Weight:
308.3264
SMILES:
OC(=O)CCCCCCCOC(=O)c1ccccc1C(=O)O
Properties
Computed Properties
 
Complexity:
379  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
11  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.5  

Literature

Title: Urinary metabolites of di-n-octyl phthalate in rats.

Journal: Toxicology 20050601

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SDS
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Tags:856869-57-3 Molecular Formula|856869-57-3 MDL|856869-57-3 SMILES|856869-57-3 Mono-7-carboxyheptylPhthalate
Catalog No.: AA01E5F2
856869-57-3
856869-57-3 | Mono-7-carboxyheptylPhthalate
Pack Size： 25mg
Purity：
3 weeks
$520.00 $364.00
Pack Size： 250mg
Purity：
3 weeks
$2,725.00 $1,907.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA01E5F2
Chemical Name: Mono-7-carboxyheptylPhthalate
CAS Number: 856869-57-3
Molecular Formula: C16H20O6
Molecular Weight: 308.3264
SMILES: OC(=O)CCCCCCCOC(=O)c1ccccc1C(=O)O
Properties
Complexity: 379  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 22  
Hydrogen Bond Acceptor Count: 6  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 11  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.5  
Literature fold

Title: Urinary metabolites of di-n-octyl phthalate in rats.

Journal: Toxicology20050601

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