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Home Carboxys 3-Acetyl-1h-pyrazole-5-carboxylic acid

3-Acetyl-1h-pyrazole-5-carboxylic acid

CAS No.:
1297537-45-1
Catalog Number:
AG000TMP
Molecular Formula:
C6H6N2O3
Molecular Weight:
154.1234
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$126
- +
250mg
95%
In Stock USA
United States
$210
- +
1g
95%
In Stock USA
United States
$447
- +
5g
95%
In Stock USA
United States
$1339
- +
Product Description
Catalog Number:
AG000TMP
Chemical Name:
3-Acetyl-1h-pyrazole-5-carboxylic acid
CAS Number:
1297537-45-1
Molecular Formula:
C6H6N2O3
Molecular Weight:
154.1234
MDL Number:
MFCD09028402
IUPAC Name:
3-acetyl-1H-pyrazole-5-carboxylic acid
InChI:
InChI=1S/C6H6N2O3/c1-3(9)4-2-5(6(10)11)8-7-4/h2H,1H3,(H,7,8)(H,10,11)
InChI Key:
HFBWRCZRDIVAMQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1n[nH]c(c1)C(=O)C
EC Number:
807-591-1
Properties
Complexity:
192  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.038g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
154.125g/mol
Monoisotopic Mass:
154.038g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Literature
Title Journal
Agonist lead identification for the high affinity niacin receptor GPR109a. Bioorganic & medicinal chemistry letters 20070901
Properties