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Home Carboxes 42393-06-6
42393-06-6,MFCD02672217
Catalog No.:AA00IT3R

42393-06-6 | (E)-4-(4-Chlorophenyl)-2-oxobut-3-enoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
>90%
1 week  
$299.00   $209.00
- +
5mg
>90%
1 week  
$319.00   $223.00
- +
10mg
>90%
1 week  
$358.00   $250.00
- +
500mg
>90%
1 week  
$1,087.00   $761.00
- +
  • Technical Information
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA00IT3R
Chemical Name:
(E)-4-(4-Chlorophenyl)-2-oxobut-3-enoic acid
CAS Number:
42393-06-6
Molecular Formula:
C10H7ClO3
Molecular Weight:
210.6138
MDL Number:
MFCD02672217
SMILES:
O=C(C(=O)O)/C=C/c1ccc(cc1)Cl
Properties
Computed Properties
 
Complexity:
252  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
Undefined Bond Stereocenter Count:
1  
XLogP3:
2.4  

Literature

Title: (4R)-Ethyl 4-(4-chloro-phen-yl)-2-hydr-oxy-5-oxo-2,3,4,5-tetra-hydro-pyrano[3,2-c]chromene-2-carboxyl-ate.

Journal: Acta crystallographica. Section E, Structure reports online 20100101

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SDS
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Tags:42393-06-6 Molecular Formula|42393-06-6 MDL|42393-06-6 SMILES|42393-06-6 (E)-4-(4-Chlorophenyl)-2-oxobut-3-enoic acid