Home Carboxys 4-methyl-1-phenyl-1H-pyrazole-3-carboxylic acid

4-methyl-1-phenyl-1H-pyrazole-3-carboxylic acid

CAS No.:
241798-67-4
Catalog Number:
AG01ACYF
Molecular Formula:
C11H10N2O2
Molecular Weight:
202.2093
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Product Description
Catalog Number:
AG01ACYF
Chemical Name:
4-methyl-1-phenyl-1H-pyrazole-3-carboxylic acid
CAS Number:
241798-67-4
Molecular Formula:
C11H10N2O2
Molecular Weight:
202.2093
MDL Number:
MFCD24480178
IUPAC Name:
4-methyl-1-phenylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C11H10N2O2/c1-8-7-13(12-10(8)11(14)15)9-5-3-2-4-6-9/h2-7H,1H3,(H,14,15)
InChI Key:
LHRKEPMAEXHVOS-UHFFFAOYSA-N
SMILES:
OC(=O)c1nn(cc1C)c1ccccc1
Properties
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.074g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
202.213g/mol
Monoisotopic Mass:
202.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties