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

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

CAS No.:
1251101-59-3
Catalog Number:
AG01C1NW
Molecular Formula:
C11H10N2O2
Molecular Weight:
202.2093
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Product Description
Catalog Number:
AG01C1NW
Chemical Name:
3-methyl-4-(1H-pyrazol-1-yl)benzoic acid
CAS Number:
1251101-59-3
Molecular Formula:
C11H10N2O2
Molecular Weight:
202.2093
MDL Number:
MFCD16686166
IUPAC Name:
3-methyl-4-pyrazol-1-ylbenzoic acid
InChI:
InChI=1S/C11H10N2O2/c1-8-7-9(11(14)15)3-4-10(8)13-6-2-5-12-13/h2-7H,1H3,(H,14,15)
InChI Key:
BUQAHTXZCXPYMW-UHFFFAOYSA-N
SMILES:
Cc1cc(ccc1n1cccn1)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