sales@angenesci.com
Login | Register
logo
Structures Search
Home Carboxys 3-(tert-Butyl)-1-methyl-1h-pyrazole-5-carboxylic acid

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

CAS No.:
175277-11-9
Catalog Number:
AG0020SJ
Molecular Formula:
C9H14N2O2
Molecular Weight:
182.2197
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$57
- +
5g
95%
In Stock USA
United States
$169
- +
10g
95%
In Stock USA
United States
$263
- +
25g
95%
In Stock USA
United States
$525
- +
100g
95%
In Stock USA
United States
$1500
- +
Product Description
Catalog Number:
AG0020SJ
Chemical Name:
3-(tert-Butyl)-1-methyl-1h-pyrazole-5-carboxylic acid
CAS Number:
175277-11-9
Molecular Formula:
C9H14N2O2
Molecular Weight:
182.2197
MDL Number:
MFCD00173812
IUPAC Name:
5-tert-butyl-2-methylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C9H14N2O2/c1-9(2,3)7-5-6(8(12)13)11(4)10-7/h5H,1-4H3,(H,12,13)
InChI Key:
SFSXXMXHJOSBAZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(nn1C)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:
1.8  
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