Home Carboxys 5-ethyl-1-phenyl-1H-pyrazole-3-carboxylic acid

5-ethyl-1-phenyl-1H-pyrazole-3-carboxylic acid

CAS No.:
66736-96-7
Catalog Number:
AG01DWL1
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
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Product Description
Catalog Number:
AG01DWL1
Chemical Name:
5-ethyl-1-phenyl-1H-pyrazole-3-carboxylic acid
CAS Number:
66736-96-7
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
MDL Number:
MFCD09901167
IUPAC Name:
5-ethyl-1-phenylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C12H12N2O2/c1-2-9-8-11(12(15)16)13-14(9)10-6-4-3-5-7-10/h3-8H,2H2,1H3,(H,15,16)
InChI Key:
JXNJWWCPXGUPQR-UHFFFAOYSA-N
SMILES:
CCc1cc(nn1c1ccccc1)C(=O)O
Properties
Complexity:
251  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.09g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties