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870540-39-9,MFCD08691817
Catalog No.:AA004GG2

870540-39-9 | 4-(3-Acetyl-2,5-dimethyl-1h-pyrrol-1-yl)benzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$81.00   $57.00
- +
5g
95%
in stock  
$321.00   $225.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA004GG2
Chemical Name:
4-(3-Acetyl-2,5-dimethyl-1h-pyrrol-1-yl)benzoic acid
CAS Number:
870540-39-9
Molecular Formula:
C15H15NO3
Molecular Weight:
257.2845
MDL Number:
MFCD08691817
SMILES:
OC(=O)c1ccc(cc1)n1c(C)cc(c1C)C(=O)C
Properties
Computed Properties
 
Complexity:
360  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.3  

Literature
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SDS
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Tags:870540-39-9 Molecular Formula|870540-39-9 MDL|870540-39-9 SMILES|870540-39-9 4-(3-Acetyl-2,5-dimethyl-1h-pyrrol-1-yl)benzoic acid
Catalog No.: AA004GG2
870540-39-9,MFCD08691817
870540-39-9 | 4-(3-Acetyl-2,5-dimethyl-1h-pyrrol-1-yl)benzoic acid
Pack Size： 1g
Purity： 95%
in stock
$81.00 $57.00
Pack Size： 5g
Purity： 95%
in stock
$321.00 $225.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA004GG2
Chemical Name: 4-(3-Acetyl-2,5-dimethyl-1h-pyrrol-1-yl)benzoic acid
CAS Number: 870540-39-9
Molecular Formula: C15H15NO3
Molecular Weight: 257.2845
MDL Number: MFCD08691817
SMILES: OC(=O)c1ccc(cc1)n1c(C)cc(c1C)C(=O)C
Properties
Complexity: 360  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 19  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.3  
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