Home Carboxys 5-Phenyl-1h-pyrazole-4-carboxylic acid

5-Phenyl-1h-pyrazole-4-carboxylic acid

CAS No.:
5504-65-4
Catalog Number:
AG00D8X6
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$168
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Product Description
Catalog Number:
AG00D8X6
Chemical Name:
5-Phenyl-1h-pyrazole-4-carboxylic acid
CAS Number:
5504-65-4
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
MDL Number:
MFCD03834501
IUPAC Name:
5-phenyl-1H-pyrazole-4-carboxylic acid
InChI:
InChI=1S/C10H8N2O2/c13-10(14)8-6-11-12-9(8)7-4-2-1-3-5-7/h1-6H,(H,11,12)(H,13,14)
InChI Key:
LGTJKUYVFSBOMC-UHFFFAOYSA-N
SMILES:
OC(=O)c1c[nH]nc1c1ccccc1
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:
2  
Isotope Atom Count:
0
Molecular Weight:
188.186g/mol
Monoisotopic Mass:
188.059g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties