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Home Carboxys 1-(tert-Butyl)-3-methyl-1h-pyrazole-5-carboxylic acid

1-(tert-Butyl)-3-methyl-1h-pyrazole-5-carboxylic acid

CAS No.:
175277-09-5
Catalog Number:
AG0020SL
Molecular Formula:
C9H14N2O2
Molecular Weight:
182.2197
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$188
- +
5g
98%
In Stock USA
United States
$750
- +
Product Description
Catalog Number:
AG0020SL
Chemical Name:
1-(tert-Butyl)-3-methyl-1h-pyrazole-5-carboxylic acid
CAS Number:
175277-09-5
Molecular Formula:
C9H14N2O2
Molecular Weight:
182.2197
MDL Number:
MFCD00204180
IUPAC Name:
2-tert-butyl-5-methylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C9H14N2O2/c1-6-5-7(8(12)13)11(10-6)9(2,3)4/h5H,1-4H3,(H,12,13)
InChI Key:
JZPMLZWJUMATOQ-UHFFFAOYSA-N
SMILES:
Cc1nn(c(c1)C(=O)O)C(C)(C)C
Properties
Complexity:
210  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.106g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
182.223g/mol
Monoisotopic Mass:
182.106g/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
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