Home Carboxys 1-(3-cyanophenyl)-1H-pyrazole-3-carboxylic acid

1-(3-cyanophenyl)-1H-pyrazole-3-carboxylic acid

CAS No.:
1803595-29-0
Catalog Number:
AG01BGDA
Molecular Formula:
C11H7N3O2
Molecular Weight:
213.1922
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Product Description
Catalog Number:
AG01BGDA
Chemical Name:
1-(3-cyanophenyl)-1H-pyrazole-3-carboxylic acid
CAS Number:
1803595-29-0
Molecular Formula:
C11H7N3O2
Molecular Weight:
213.1922
MDL Number:
MFCD28145226
IUPAC Name:
1-(3-cyanophenyl)pyrazole-3-carboxylic acid
InChI:
InChI=1S/C11H7N3O2/c12-7-8-2-1-3-9(6-8)14-5-4-10(13-14)11(15)16/h1-6H,(H,15,16)
InChI Key:
SHKJTABSOWWZDU-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)n1ccc(n1)C(=O)O
Properties
Complexity:
322  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.054g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
213.196g/mol
Monoisotopic Mass:
213.054g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties