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1771-65-9,MFCD00192311
Catalog No.:AA002517

1771-65-9 | Benzenebutanoic acid, α-methyl-γ-oxo-

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
in stock  
$65.00   $45.00
- +
1g
in stock  
$243.00   $170.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA002517
Chemical Name:
Benzenebutanoic acid, α-methyl-γ-oxo-
CAS Number:
1771-65-9
Molecular Formula:
C11H12O3
Molecular Weight:
192.2112
MDL Number:
MFCD00192311
SMILES:
CC(C(=O)O)CC(=O)c1ccccc1
Properties
Properties
 
Form:
Solid  
MP:
139-141°C  
Storage:
2-8℃;  

Computed Properties
 
Complexity:
217  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.6  

Literature

Title: rac-3-Benzoyl-2-methylpropionic acid and its organic salts: possibilities of Yang photocyclization in crystals.

Journal: Acta crystallographica. Section C, Crystal structure communications 20080801

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SDS
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Tags:1771-65-9 Molecular Formula|1771-65-9 MDL|1771-65-9 SMILES|1771-65-9 Benzenebutanoic acid, α-methyl-γ-oxo-
Catalog No.: AA002517
1771-65-9,MFCD00192311
1771-65-9 | Benzenebutanoic acid, α-methyl-γ-oxo-
Pack Size： 100mg
Purity：
in stock
$65.00 $45.00
Pack Size： 1g
Purity：
in stock
$243.00 $170.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA002517
Chemical Name: Benzenebutanoic acid, α-methyl-γ-oxo-
CAS Number: 1771-65-9
Molecular Formula: C11H12O3
Molecular Weight: 192.2112
MDL Number: MFCD00192311
SMILES: CC(C(=O)O)CC(=O)c1ccccc1
Properties
Form: Solid  
MP: 139-141°C  
Storage: 2-8℃;  
Complexity: 217  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 14  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 1  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.6  
Literature fold

Title: rac-3-Benzoyl-2-methylpropionic acid and its organic salts: possibilities of Yang photocyclization in crystals.

Journal: Acta crystallographica. Section C, Crystal structure communications20080801

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