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

3-(4-methyl-1H-pyrazol-1-yl)benzoic acid

CAS No.:
1251072-11-3
Catalog Number:
AG01DV4D
Molecular Formula:
C11H10N2O2
Molecular Weight:
202.2093
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Product Description
Catalog Number:
AG01DV4D
Chemical Name:
3-(4-methyl-1H-pyrazol-1-yl)benzoic acid
CAS Number:
1251072-11-3
Molecular Formula:
C11H10N2O2
Molecular Weight:
202.2093
MDL Number:
MFCD14599961
IUPAC Name:
3-(4-methylpyrazol-1-yl)benzoic acid
InChI:
InChI=1S/C11H10N2O2/c1-8-6-12-13(7-8)10-4-2-3-9(5-10)11(14)15/h2-7H,1H3,(H,14,15)
InChI Key:
HLSKPIKSWVNKQZ-UHFFFAOYSA-N
SMILES:
Cc1cnn(c1)c1cccc(c1)C(=O)O
Properties
Complexity:
245  
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