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Home Other Building Blocks 3-(3,5-Dimethyl-1h-pyrazol-1-yl)-2-methylpropanoic acid

3-(3,5-Dimethyl-1h-pyrazol-1-yl)-2-methylpropanoic acid

CAS No.:
436086-92-9
Catalog Number:
AG00D9B5
Molecular Formula:
C9H14N2O2
Molecular Weight:
182.2197
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$400
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Product Description
Catalog Number:
AG00D9B5
Chemical Name:
3-(3,5-Dimethyl-1h-pyrazol-1-yl)-2-methylpropanoic acid
CAS Number:
436086-92-9
Molecular Formula:
C9H14N2O2
Molecular Weight:
182.2197
MDL Number:
MFCD03444758
IUPAC Name:
3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanoic acid
InChI:
InChI=1S/C9H14N2O2/c1-6(9(12)13)5-11-8(3)4-7(2)10-11/h4,6H,5H2,1-3H3,(H,12,13)
InChI Key:
JQGMPUXUJVGEAE-UHFFFAOYSA-N
SMILES:
OC(=O)C(Cn1nc(cc1C)C)C
Properties
Complexity:
196  
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:
3  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
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