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1014631-89-0 | 1H-Pyrazole-4-carboxylic acid, 1-(3-pyridinyl)-
CAS No: 1014631-89-0 Catalog No: AG0004JI MDL No:MFCD18260889
Product Description
Catalog Number:
AG0004JI
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 1-(3-pyridinyl)-
CAS Number:
1014631-89-0
Molecular Formula:
C9H7N3O2
Molecular Weight:
189.1708
MDL Number:
MFCD18260889
IUPAC Name:
1-pyridin-3-ylpyrazole-4-carboxylic acid
InChI:
InChI=1S/C9H7N3O2/c13-9(14)7-4-11-12(6-7)8-2-1-3-10-5-8/h1-6H,(H,13,14)
InChI Key:
MEKNAPSWZLHSTM-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnn(c1)c1cccnc1
Properties
Complexity:
222
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
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