586-89-0,MFCD00002561
Catalog No.:AA003KK2

586-89-0 | 4-Acetylbenzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
≥98%
in stock  
$16.00   $11.00
- +
10g
97%
in stock  
$20.00   $14.00
- +
25g
97%
in stock  
$47.00   $33.00
- +
100g
97%
in stock  
$103.00   $72.00
- +
500g
97%
in stock  
$481.00   $337.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003KK2
Chemical Name:
4-Acetylbenzoic acid
CAS Number:
586-89-0
Molecular Formula:
C9H8O3
Molecular Weight:
164.1580
MDL Number:
MFCD00002561
SMILES:
CC(=O)c1ccc(cc1)C(=O)O
NSC Number:
16644
Properties
Properties
 
BP:
339.9°C at 760 mmHg  
Form:
Solid  
MP:
208-210 °C(lit.)  
Refractive Index:
1.5380 (estimate)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
190  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.6  

Literature

Title: 3-Acetyl-benzoic acid.

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

Title: Polymeric micelles for the pH-dependent controlled, continuous low dose release of paclitaxel.

Journal: Biomaterials 20100301

Title: Comparative analysis of essential oil components in Pericarpium Citri Reticulatae Viride and Pericarpium Citri Reticulatae by GC-MS combined with chemometric resolution method.

Journal: Journal of pharmaceutical and biomedical analysis 20080107

Title: Application of a modified version of Habeeb's trinitrophenylation method for the characterization of hapten-protein conjugates in a reversed micellar medium.

Journal: Journal of immunological methods 20020501

Title: Design and synthesis of benzoic acid derivatives as influenza neuraminidase inhibitors using structure-based drug design.

Journal: Journal of medicinal chemistry 19971205

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SDS
Tags:586-89-0 Molecular Formula|586-89-0 MDL|586-89-0 SMILES|586-89-0 4-Acetylbenzoic acid
Catalog No.: AA003KK2
586-89-0,MFCD00002561
586-89-0 | 4-Acetylbenzoic acid
Pack Size: 5g
Purity: ≥98%
in stock
$16.00 $11.00
Pack Size: 10g
Purity: 97%
in stock
$20.00 $14.00
Pack Size: 25g
Purity: 97%
in stock
$47.00 $33.00
Pack Size: 100g
Purity: 97%
in stock
$103.00 $72.00
Pack Size: 500g
Purity: 97%
in stock
$481.00 $337.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003KK2
Chemical Name: 4-Acetylbenzoic acid
CAS Number: 586-89-0
Molecular Formula: C9H8O3
Molecular Weight: 164.1580
MDL Number: MFCD00002561
SMILES: CC(=O)c1ccc(cc1)C(=O)O
NSC Number: 16644
Properties
BP: 339.9°C at 760 mmHg  
Form: Solid  
MP: 208-210 °C(lit.)  
Refractive Index: 1.5380 (estimate)  
Storage: Keep in dry area;Room Temperature;  
Complexity: 190  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 12  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.6  
Literature fold

Title: 3-Acetyl-benzoic acid.

Journal: Acta crystallographica. Section E, Structure reports online20100701

Title: Polymeric micelles for the pH-dependent controlled, continuous low dose release of paclitaxel.

Journal: Biomaterials20100301

Title: Comparative analysis of essential oil components in Pericarpium Citri Reticulatae Viride and Pericarpium Citri Reticulatae by GC-MS combined with chemometric resolution method.

Journal: Journal of pharmaceutical and biomedical analysis20080107

Title: Application of a modified version of Habeeb's trinitrophenylation method for the characterization of hapten-protein conjugates in a reversed micellar medium.

Journal: Journal of immunological methods20020501

Title: Design and synthesis of benzoic acid derivatives as influenza neuraminidase inhibitors using structure-based drug design.

Journal: Journal of medicinal chemistry19971205

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