Home Carboxys 1-methyl-3-(propan-2-yl)-1H-pyrazole-4-carboxylic acid

1-methyl-3-(propan-2-yl)-1H-pyrazole-4-carboxylic acid

CAS No.:
113100-52-0
Catalog Number:
AG019V7D
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
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Product Description
Catalog Number:
AG019V7D
Chemical Name:
1-methyl-3-(propan-2-yl)-1H-pyrazole-4-carboxylic acid
CAS Number:
113100-52-0
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
MDL Number:
MFCD11180212
IUPAC Name:
1-methyl-3-propan-2-ylpyrazole-4-carboxylic acid
InChI:
InChI=1S/C8H12N2O2/c1-5(2)7-6(8(11)12)4-10(3)9-7/h4-5H,1-3H3,(H,11,12)
InChI Key:
ZOZXBTBRFQPZEJ-UHFFFAOYSA-N
SMILES:
Cn1nc(c(c1)C(=O)O)C(C)C
Properties
Complexity:
182  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.09g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
168.196g/mol
Monoisotopic Mass:
168.09g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties