Home Other Building Blocks Benzoic acid, 4-(3-methyl-1H-pyrazol-1-yl)-

Benzoic acid, 4-(3-methyl-1H-pyrazol-1-yl)-

CAS No.:
72899-91-3
Catalog Number:
AG019UDO
Molecular Formula:
C11H10N2O2
Molecular Weight:
202.2093
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Product Description
Catalog Number:
AG019UDO
Chemical Name:
Benzoic acid, 4-(3-methyl-1H-pyrazol-1-yl)-
CAS Number:
72899-91-3
Molecular Formula:
C11H10N2O2
Molecular Weight:
202.2093
MDL Number:
MFCD06255078
IUPAC Name:
4-(3-methylpyrazol-1-yl)benzoic acid
InChI:
InChI=1S/C11H10N2O2/c1-8-6-7-13(12-8)10-4-2-9(3-5-10)11(14)15/h2-7H,1H3,(H,14,15)
InChI Key:
DYLOJVSWTZSAAA-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)n1ccc(n1)C
Properties
Complexity:
237  
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:
1.8  
Properties