Home Carboxys 1-ethyl-5-phenyl-1H-pyrazole-4-carboxylic acid

1-ethyl-5-phenyl-1H-pyrazole-4-carboxylic acid

CAS No.:
1250673-36-9
Catalog Number:
AG01BDO1
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
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Product Description
Catalog Number:
AG01BDO1
Chemical Name:
1-ethyl-5-phenyl-1H-pyrazole-4-carboxylic acid
CAS Number:
1250673-36-9
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
MDL Number:
MFCD14643717
IUPAC Name:
1-ethyl-5-phenylpyrazole-4-carboxylic acid
InChI:
InChI=1S/C12H12N2O2/c1-2-14-11(9-6-4-3-5-7-9)10(8-13-14)12(15)16/h3-8H,2H2,1H3,(H,15,16)
InChI Key:
LRHONBYCCYYORC-UHFFFAOYSA-N
SMILES:
CCn1ncc(c1c1ccccc1)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:
1.7  
Properties