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52034-38-5,MFCD00022463
Catalog No.:AA00D8JM

52034-38-5 | 4-(3-Formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzenecarboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$202.00   $142.00
- +
1g
98%
in stock  
$520.00 $364.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00D8JM
Chemical Name:
4-(3-Formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzenecarboxylic acid
CAS Number:
52034-38-5
Molecular Formula:
C14H13NO3
Molecular Weight:
243.2579
MDL Number:
MFCD00022463
SMILES:
O=Cc1cc(n(c1C)c1ccc(cc1)C(=O)O)C
NSC Number:
242028
Properties
Properties
 
BP:
446.4°C at 760 mmHg  
Form:
Solid  
MP:
259-261°C  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
323  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
18  
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:
2.1  

Downstream Synthesis Route
52034-38-5   
C32H56N9O12P 
 
C46H67N10O14P 

[1]Zhao,XueZhi;Hymel,David;Burke,TerrenceR.[BioorganicandMedicinalChemistryLetters,2016,vol.26,#20,p.5009-5012]

52034-38-5   
C31H54N9O12P 
 
C45H65N10O14P 

[1]Zhao,XueZhi;Hymel,David;Burke,TerrenceR.[BioorganicandMedicinalChemistryLetters,2016,vol.26,#20,p.5009-5012]

52034-38-5   
C51H79N12O21PS 
 
C65H90N13O23PS 

[1]Hogan,Megan;Bahta,Medhanit;Tsuji,Kohei;Nguyen,TrungX.;Cherry,Scott;Lountos,GeorgeT.;Tropea,JosephE.;Zhao,BryanM.;Zhao,XueZhi;Waugh,DavidS.;Burke,TerrenceR.;Ulrich,RobertG.[ACSCombinatorialScience,2019,vol.21,#3,p.158-170]

52034-38-5   
C52H83N12O19PS 
 
C66H94N13O21PS 

[1]Hogan,Megan;Bahta,Medhanit;Tsuji,Kohei;Nguyen,TrungX.;Cherry,Scott;Lountos,GeorgeT.;Tropea,JosephE.;Zhao,BryanM.;Zhao,XueZhi;Waugh,DavidS.;Burke,TerrenceR.;Ulrich,RobertG.[ACSCombinatorialScience,2019,vol.21,#3,p.158-170]

Literature
Quotation Request
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SDS
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Tags:52034-38-5 Molecular Formula|52034-38-5 MDL|52034-38-5 SMILES|52034-38-5 4-(3-Formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzenecarboxylic acid
Catalog No.: AA00D8JM
52034-38-5,MFCD00022463
52034-38-5 | 4-(3-Formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzenecarboxylic acid
Pack Size： 250mg
Purity： 98%
in stock
$202.00 $142.00
Pack Size： 1g
Purity： 98%
in stock
$520.00 $364.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00D8JM
Chemical Name: 4-(3-Formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzenecarboxylic acid
CAS Number: 52034-38-5
Molecular Formula: C14H13NO3
Molecular Weight: 243.2579
MDL Number: MFCD00022463
SMILES: O=Cc1cc(n(c1C)c1ccc(cc1)C(=O)O)C
NSC Number: 242028
Properties
BP: 446.4°C at 760 mmHg  
Form: Solid  
MP: 259-261°C  
Storage: Keep in dry area;2-8℃;  
Complexity: 323  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 18  
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: 2.1  
Downstream Synthesis Route
52034-38-5   
C32H56N9O12P 
 
C46H67N10O14P 

[1]Zhao,XueZhi;Hymel,David;Burke,TerrenceR.[BioorganicandMedicinalChemistryLetters,2016,vol.26,#20,p.5009-5012]

52034-38-5   
C31H54N9O12P 
 
C45H65N10O14P 

[1]Zhao,XueZhi;Hymel,David;Burke,TerrenceR.[BioorganicandMedicinalChemistryLetters,2016,vol.26,#20,p.5009-5012]

52034-38-5   
C51H79N12O21PS 
 
C65H90N13O23PS 

[1]Hogan,Megan;Bahta,Medhanit;Tsuji,Kohei;Nguyen,TrungX.;Cherry,Scott;Lountos,GeorgeT.;Tropea,JosephE.;Zhao,BryanM.;Zhao,XueZhi;Waugh,DavidS.;Burke,TerrenceR.;Ulrich,RobertG.[ACSCombinatorialScience,2019,vol.21,#3,p.158-170]

52034-38-5   
C52H83N12O19PS 
 
C66H94N13O21PS 

[1]Hogan,Megan;Bahta,Medhanit;Tsuji,Kohei;Nguyen,TrungX.;Cherry,Scott;Lountos,GeorgeT.;Tropea,JosephE.;Zhao,BryanM.;Zhao,XueZhi;Waugh,DavidS.;Burke,TerrenceR.;Ulrich,RobertG.[ACSCombinatorialScience,2019,vol.21,#3,p.158-170]

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