Home Carboxys 1-Phenyl-1h-pyrazole-3-carboxylic acid

1-Phenyl-1h-pyrazole-3-carboxylic acid

CAS No.:
4747-46-0
Catalog Number:
AG00DHXH
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
96%
In Stock USA
United States
$275
- +
1g
96%
In Stock USA
United States
$688
- +
Product Description
Catalog Number:
AG00DHXH
Chemical Name:
1-Phenyl-1h-pyrazole-3-carboxylic acid
CAS Number:
4747-46-0
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
MDL Number:
MFCD09991934
IUPAC Name:
1-phenylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C10H8N2O2/c13-10(14)9-6-7-12(11-9)8-4-2-1-3-5-8/h1-7H,(H,13,14)
InChI Key:
LAWUBNJMRGMNQD-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccn(n1)c1ccccc1
Properties
Complexity:
214  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.059g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
188.186g/mol
Monoisotopic Mass:
188.059g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties