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586-42-5,MFCD00045847
Catalog No.:AA0033HP

586-42-5 | 3-Acetylbenzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$18.00   $13.00
- +
5g
95%
in stock  
$29.00   $20.00
- +
25g
98%
in stock  
$66.00   $47.00
- +
  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0033HP
Chemical Name:
3-Acetylbenzoic acid
CAS Number:
586-42-5
Molecular Formula:
C9H8O3
Molecular Weight:
164.1580
MDL Number:
MFCD00045847
SMILES:
CC(=O)c1cccc(c1)C(=O)O
NSC Number:
2932
Properties
Properties
 
BP:
342.8°C at 760 mmHg  
Form:
Solid  
MP:
163-171 °C  
Refractive Index:
1.5380 (estimate)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
198  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
1.6  

Literature

Title: 3-Acetyl-benzoic acid.

Journal: Acta crystallographica. Section E, Structure reports online 20100701

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SDS
Tags:586-42-5 Molecular Formula|586-42-5 MDL|586-42-5 SMILES|586-42-5 3-Acetylbenzoic acid