Home Carboxys 1-Ethyl-1H-pyrazole-4-carboxylic acid

1-Ethyl-1H-pyrazole-4-carboxylic acid

CAS No.:
400858-54-0
Catalog Number:
AG003EBI
Molecular Formula:
C6H8N2O2
Molecular Weight:
140.1399
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$100
- +
5g
98%
In Stock USA
United States
$350
- +
10g
98%
In Stock USA
United States
$500
- +
Product Description
Catalog Number:
AG003EBI
Chemical Name:
1-Ethyl-1H-pyrazole-4-carboxylic acid
CAS Number:
400858-54-0
Molecular Formula:
C6H8N2O2
Molecular Weight:
140.1399
MDL Number:
MFCD02090883
IUPAC Name:
1-ethylpyrazole-4-carboxylic acid
InChI:
InChI=1S/C6H8N2O2/c1-2-8-4-5(3-7-8)6(9)10/h3-4H,2H2,1H3,(H,9,10)
InChI Key:
BXXOXFNLGLMZSO-UHFFFAOYSA-N
SMILES:
CCn1cc(cn1)C(=O)O
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:
1  
Isotope Atom Count:
0
Molecular Weight:
140.142g/mol
Monoisotopic Mass:
140.059g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties