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1014631-58-3 | 1H-Pyrazole-3-carboxylic acid, 1-(2-pyridinyl)-
CAS No: 1014631-58-3 Catalog No: AG0004JJ MDL No:MFCD11040399
Product Description
Catalog Number:
AG0004JJ
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 1-(2-pyridinyl)-
CAS Number:
1014631-58-3
Molecular Formula:
C9H7N3O2
Molecular Weight:
189.1708
MDL Number:
MFCD11040399
IUPAC Name:
1-pyridin-2-ylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C9H7N3O2/c13-9(14)7-4-6-12(11-7)8-3-1-2-5-10-8/h1-6H,(H,13,14)
InChI Key:
BKWTUCBUSLAMGU-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccn(n1)c1ccccn1
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:
1
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