Home Carboxys 1-(pyridin-4-yl)-1H-pyrazole-4-carboxylic acid

1-(pyridin-4-yl)-1H-pyrazole-4-carboxylic acid

CAS No.:
1155066-46-8
Catalog Number:
AG01ALWR
Molecular Formula:
C9H7N3O2
Molecular Weight:
189.1708
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Product Description
Catalog Number:
AG01ALWR
Chemical Name:
1-(pyridin-4-yl)-1H-pyrazole-4-carboxylic acid
CAS Number:
1155066-46-8
Molecular Formula:
C9H7N3O2
Molecular Weight:
189.1708
MDL Number:
MFCD12134529
IUPAC Name:
1-pyridin-4-ylpyrazole-4-carboxylic acid
InChI:
InChI=1S/C9H7N3O2/c13-9(14)7-5-11-12(6-7)8-1-3-10-4-2-8/h1-6H,(H,13,14)
InChI Key:
HRKRCTONQOYQPH-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnn(c1)c1ccncc1
Properties
Complexity:
216  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.054g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
189.174g/mol
Monoisotopic Mass:
189.054g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties