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956990-21-9,MFCD07021393
Catalog No.:AA00IY12

956990-21-9 | 1-(2-carboxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid

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Technical Information
Catalog Number:
AA00IY12
Chemical Name:
1-(2-carboxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid
CAS Number:
956990-21-9
Molecular Formula:
C13H12N2O4
Molecular Weight:
260.2454
MDL Number:
MFCD07021393
SMILES:
OC(=O)c1c(C)nn(c1C)c1ccccc1C(=O)O
Properties
Computed Properties
 
Complexity:
374  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
3  
XLogP3:
1.7  

Literature
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SDS
Tags:956990-21-9 Molecular Formula|956990-21-9 MDL|956990-21-9 SMILES|956990-21-9 1-(2-carboxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid