Home Carboxys 1-(butan-2-yl)-5-methyl-1H-pyrazole-3-carboxylic acid

1-(butan-2-yl)-5-methyl-1H-pyrazole-3-carboxylic acid

CAS No.:
1432680-57-3
Catalog Number:
AG01A41N
Molecular Formula:
C9H14N2O2
Molecular Weight:
182.2197
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01A41N
Chemical Name:
1-(butan-2-yl)-5-methyl-1H-pyrazole-3-carboxylic acid
CAS Number:
1432680-57-3
Molecular Formula:
C9H14N2O2
Molecular Weight:
182.2197
MDL Number:
MFCD24369095
IUPAC Name:
1-butan-2-yl-5-methylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C9H14N2O2/c1-4-6(2)11-7(3)5-8(10-11)9(12)13/h5-6H,4H2,1-3H3,(H,12,13)
InChI Key:
IQPMPJCZZSUXLA-UHFFFAOYSA-N
SMILES:
Cc1cc(nn1C(CC)C)C(=O)O
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:
1.7  
Properties