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1014631-89-0,MFCD18260889
Catalog No.:AA0004GQ
1014631-89-0 | 1-(Pyridin-3-yl)-1h-pyrazole-4-carboxylic acid
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100mg
in stock  
$66.00   $46.00
- +
250mg
in stock  
$80.00   $56.00
- +
1g
in stock  
$146.00   $102.00
- +
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Technical Information
Catalog Number:
AA0004GQ
Chemical Name:
1-(Pyridin-3-yl)-1h-pyrazole-4-carboxylic acid
CAS Number:
1014631-89-0
Molecular Formula:
C9H7N3O2
Molecular Weight:
189.1708
MDL Number:
MFCD18260889
IUPAC Name:
1-pyridin-3-ylpyrazole-4-carboxylic acid
InChI:
InChI=1S/C9H7N3O2/c13-9(14)7-4-11-12(6-7)8-2-1-3-10-5-8/h1-6H,(H,13,14)
InChI Key:
MEKNAPSWZLHSTM-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnn(c1)c1cccnc1
Properties
Computed Properties
 
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.054g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
189.174g/mol
Monoisotopic Mass:
189.054g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  

Synonyms
 
1-(Pyridin-3-yl)-1H-pyrazole-4-carboxylic acid 
1014631-89-0 
MCULE-6631635843 
KS-0000054R 
AK122722 
DA-17923 
AJ-117121 
AM20050612 
CS-0052801 
FT-0762708 
EN300-76145 
1H-Pyrazole-4-carboxylic acid, 1-(3-pyridinyl)- 
SCHEMBL1556313 
F8880-1087 
C9H7N3O2 
DTXSID30712386 
MEKNAPSWZLHSTM-UHFFFAOYSA-N 
0389AA 
MFCD18260889 
ZINC68590445 
AKOS016012352 
DS-6726 
Literature
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