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Home Carboxys 5-Methyl-1-propyl-1h-pyrazole-4-carboxylic acid

5-Methyl-1-propyl-1h-pyrazole-4-carboxylic acid

CAS No.:
705270-06-0
Catalog Number:
AG005U72
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$64
- +
5g
95%
In Stock USA
United States
$125
- +
Product Description
Catalog Number:
AG005U72
Chemical Name:
5-Methyl-1-propyl-1h-pyrazole-4-carboxylic acid
CAS Number:
705270-06-0
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
MDL Number:
MFCD03194465
IUPAC Name:
5-methyl-1-propylpyrazole-4-carboxylic acid
InChI:
InChI=1S/C8H12N2O2/c1-3-4-10-6(2)7(5-9-10)8(11)12/h5H,3-4H2,1-2H3,(H,11,12)
InChI Key:
PIOSFPCYOZWBLH-UHFFFAOYSA-N
SMILES:
Cc1c(cnn1CCC)C(=O)O
Properties
Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.09g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
168.196g/mol
Monoisotopic Mass:
168.09g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
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
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties