Home Carboxys 1-benzyl-1H-pyrazole-3-carboxylic acid

1-benzyl-1H-pyrazole-3-carboxylic acid

CAS No.:
1007306-14-0
Catalog Number:
AG01ACZU
Molecular Formula:
C11H10N2O2
Molecular Weight:
202.2093
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Product Description
Catalog Number:
AG01ACZU
Chemical Name:
1-benzyl-1H-pyrazole-3-carboxylic acid
CAS Number:
1007306-14-0
Molecular Formula:
C11H10N2O2
Molecular Weight:
202.2093
MDL Number:
MFCD01647085
IUPAC Name:
1-benzylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C11H10N2O2/c14-11(15)10-6-7-13(12-10)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,14,15)
InChI Key:
CZPRLVUTBZKCJG-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccn(n1)Cc1ccccc1
Properties
Complexity:
227  
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:
3  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties