Home Carboxys 1-cyclobutyl-3-methyl-1H-pyrazole-5-carboxylic acid

1-cyclobutyl-3-methyl-1H-pyrazole-5-carboxylic acid

CAS No.:
129506-38-3
Catalog Number:
AG01EK7Q
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
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Product Description
Catalog Number:
AG01EK7Q
Chemical Name:
1-cyclobutyl-3-methyl-1H-pyrazole-5-carboxylic acid
CAS Number:
129506-38-3
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
MDL Number:
MFCD20645646
IUPAC Name:
2-cyclobutyl-5-methylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C9H12N2O2/c1-6-5-8(9(12)13)11(10-6)7-3-2-4-7/h5,7H,2-4H2,1H3,(H,12,13)
InChI Key:
PXGNEGOBPGYSJL-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(nn1C1CCC1)C
Properties
Complexity:
216  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.09g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
180.207g/mol
Monoisotopic Mass:
180.09g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties