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1007541-72-1,MFCD08443864
Catalog No.:AA0002QU
1007541-72-1 | 3-Ethyl-1h-pyrazole-4-carboxylic acid
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$294.00   $206.00
- +
5g
95%
in stock  
$945.00   $662.00
- +
  • Technical Information
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  • Literature
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA0002QU
Chemical Name:
3-Ethyl-1h-pyrazole-4-carboxylic acid
CAS Number:
1007541-72-1
Molecular Formula:
C6H8N2O2
Molecular Weight:
140.1399
MDL Number:
MFCD08443864
IUPAC Name:
5-ethyl-1H-pyrazole-4-carboxylic acid
InChI:
InChI=1S/C6H8N2O2/c1-2-5-4(6(9)10)3-7-8-5/h3H,2H2,1H3,(H,7,8)(H,9,10)
InChI Key:
XUSKPMMPOGGMKA-UHFFFAOYSA-N
SMILES:
CCc1n[nH]cc1C(=O)O
Properties
Computed Properties
 
Complexity:
138  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.059g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
140.142g/mol
Monoisotopic Mass:
140.059g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  

Synonyms
 
5-ethyl-1H-pyrazole-4-carboxylic acid 
1007541-72-1 
DTXSID00629679 
5-ethylpyrazole-4-carboxylic acid 
ALBB-018099 
ZINC8700063 
0264AA 
MFCD08443864 
SBB085439 
AKOS000302418 
AKOS003672781 
3-ethyl-2H-pyrazole-4-carboxylic acid 
3-ethyl-1H-pyrazole-4-carboxylic acid 
MCULE-9120353135 
NE60409 
AJ-58331 
AS-50225 
TR-057019 
BB 0218194 
EN300-37227 
Y-3836 
AB00995166-01 
F8887-5858 
3-ETHYL-PYRAZOLE-4-CARBOXYLIC ACID 
Z381785592 
C6H8N2O2 
1H-pyrazole-4-carboxylic acid, 3-ethyl- 
AC1Q2SUF 
SCHEMBL553835 
SCHEMBL14822490 
CTK6D0363 
CTK6D2571 
Literature
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