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4271-99-2,MFCD00059304
Catalog No.:AA003UVX

4271-99-2 | Trans-aconitic acid trimethyl ester

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
>97.0%(GC)
in stock  
$120.00   $84.00
- +
25g
>97.0%(GC)
in stock  
$362.00   $253.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003UVX
Chemical Name:
Trans-aconitic acid trimethyl ester
CAS Number:
4271-99-2
Molecular Formula:
C9H12O6
Molecular Weight:
216.1880
MDL Number:
MFCD00059304
SMILES:
COC(=O)C/C(=C\C(=O)OC)/C(=O)OC
Properties
Properties
 
BP:
227.9°C at 760 mmHg  
Form:
Liquid  

Computed Properties
 
Complexity:
291  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
1  
Formal Charge:
0  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
7  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0  

Literature
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SDS
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Tags:4271-99-2 Molecular Formula|4271-99-2 MDL|4271-99-2 SMILES|4271-99-2 Trans-aconitic acid trimethyl ester
Catalog No.: AA003UVX
4271-99-2,MFCD00059304
4271-99-2 | Trans-aconitic acid trimethyl ester
Pack Size： 5g
Purity： >97.0%(GC)
in stock
$120.00 $84.00
Pack Size： 25g
Purity： >97.0%(GC)
in stock
$362.00 $253.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003UVX
Chemical Name: Trans-aconitic acid trimethyl ester
CAS Number: 4271-99-2
Molecular Formula: C9H12O6
Molecular Weight: 216.1880
MDL Number: MFCD00059304
SMILES: COC(=O)C/C(=C\C(=O)OC)/C(=O)OC
Properties
BP: 227.9°C at 760 mmHg  
Form: Liquid  
Complexity: 291  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 1  
Formal Charge: 0  
Heavy Atom Count: 15  
Hydrogen Bond Acceptor Count: 6  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 7  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0  
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