Home Carboxys 4-cyclobutyl-1-methyl-1H-pyrazole-5-carboxylic acid

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

CAS No.:
1779923-99-7
Catalog Number:
AG01C5H1
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG01C5H1
Chemical Name:
4-cyclobutyl-1-methyl-1H-pyrazole-5-carboxylic acid
CAS Number:
1779923-99-7
MDL Number:
MFCD29991383
IUPAC Name:
4-cyclobutyl-2-methylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C9H12N2O2/c1-11-8(9(12)13)7(5-10-11)6-3-2-4-6/h5-6H,2-4H2,1H3,(H,12,13)
InChI Key:
BWHBURIQMNDWSY-UHFFFAOYSA-N
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:
1.5  
Properties