Home Other Building Blocks 4-(1-methyl-1H-pyrazol-4-yl)benzoic acid

4-(1-methyl-1H-pyrazol-4-yl)benzoic acid

CAS No.:
199678-06-3
Catalog Number:
AG01BS35
Molecular Formula:
C11H10N2O2
Molecular Weight:
202.2093
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Product Description
Catalog Number:
AG01BS35
Chemical Name:
4-(1-methyl-1H-pyrazol-4-yl)benzoic acid
CAS Number:
199678-06-3
Molecular Formula:
C11H10N2O2
Molecular Weight:
202.2093
MDL Number:
MFCD11932712
IUPAC Name:
4-(1-methylpyrazol-4-yl)benzoic acid
InChI:
InChI=1S/C11H10N2O2/c1-13-7-10(6-12-13)8-2-4-9(5-3-8)11(14)15/h2-7H,1H3,(H,14,15)
InChI Key:
JNLQMZREPWAVIE-UHFFFAOYSA-N
SMILES:
Cn1ncc(c1)c1ccc(cc1)C(=O)O
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:
1.4  
Properties