Home Carboxys 1-(pyridin-4-yl)-1H-pyrazole-3-carboxylic acid

1-(pyridin-4-yl)-1H-pyrazole-3-carboxylic acid

CAS No.:
911463-81-5
Catalog Number:
AG01BCP5
Molecular Formula:
C9H7N3O2
Molecular Weight:
189.1708
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Product Description
Catalog Number:
AG01BCP5
Chemical Name:
1-(pyridin-4-yl)-1H-pyrazole-3-carboxylic acid
CAS Number:
911463-81-5
Molecular Formula:
C9H7N3O2
Molecular Weight:
189.1708
MDL Number:
MFCD18260888
IUPAC Name:
1-pyridin-4-ylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C9H7N3O2/c13-9(14)8-3-6-12(11-8)7-1-4-10-5-2-7/h1-6H,(H,13,14)
InChI Key:
XWQIEMRCIPUTMI-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccn(n1)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:
0.7  
Properties