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823-77-8 | 3-Pyridinecarboxylicacid, calcium salt (2:1)
CAS No: 823-77-8 Catalog No: AG004YMC MDL No:
Product Description
Catalog Number:
AG004YMC
Chemical Name:
3-Pyridinecarboxylicacid, calcium salt (2:1)
CAS Number:
823-77-8
Molecular Formula:
C12H8CaN2O4
Molecular Weight:
284.2809
IUPAC Name:
calcium;pyridine-3-carboxylate
InChI:
InChI=1S/2C6H5NO2.Ca/c2*8-6(9)5-2-1-3-7-4-5;/h2*1-4H,(H,8,9);/q;;+2/p-2
InChI Key:
CFKVDGBWWNMDKZ-UHFFFAOYSA-L
SMILES:
[O-]C(=O)c1cccnc1.[O-]C(=O)c1cccnc1.[Ca+2]
EC Number:
212-518-6
UNII:
36RI01102M
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.011g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.284g/mol
Monoisotopic Mass:
284.011g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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