Home Carboxys 3-Ethyl-1h-pyrazole-4-carboxylic acid

3-Ethyl-1h-pyrazole-4-carboxylic acid

CAS No.:
1007541-72-1
Catalog Number:
AG0002TM
Molecular Formula:
C6H8N2O2
Molecular Weight:
140.1399
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$289
- +
5g
95%
In Stock USA
United States
$858
- +
Product Description
Catalog Number:
AG0002TM
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
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  
Properties