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

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

CAS No.:
1134-50-5
Catalog Number:
AG0008FZ
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$57
- +
5g
97%
In Stock USA
United States
$150
- +
25g
97%
In Stock USA
United States
$485
- +
Product Description
Catalog Number:
AG0008FZ
Chemical Name:
1-Phenyl-1h-pyrazole-4-carboxylic acid
CAS Number:
1134-50-5
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
MDL Number:
MFCD00514518
IUPAC Name:
1-phenylpyrazole-4-carboxylic acid
InChI:
InChI=1S/C10H8N2O2/c13-10(14)8-6-11-12(7-8)9-4-2-1-3-5-9/h1-7H,(H,13,14)
InChI Key:
ZROILLPDIUNLSE-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnn(c1)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:
1.4  
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