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1279893-98-9 | Furo[2,3-b]pyridine-2-carboxylic acid, 2,3-dihydro-3-oxo-, sodium salt (1:1)
CAS No: 1279893-98-9 Catalog No: AG000XN0 MDL No:
Product Description
Catalog Number:
AG000XN0
Chemical Name:
Furo[2,3-b]pyridine-2-carboxylic acid, 2,3-dihydro-3-oxo-, sodium salt (1:1)
CAS Number:
1279893-98-9
Molecular Formula:
C8H4NNaO4
Molecular Weight:
201.1114
IUPAC Name:
sodium;3-oxofuro[2,3-b]pyridine-2-carboxylate
InChI:
InChI=1S/C8H5NO4.Na/c10-5-4-2-1-3-9-7(4)13-6(5)8(11)12;/h1-3,6H,(H,11,12);/q;+1/p-1
InChI Key:
GXUFOHJHKPEWEZ-UHFFFAOYSA-M
SMILES:
[O-]C(=O)C1Oc2c(C1=O)cccn2.[Na+]
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.004g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.113g/mol
Monoisotopic Mass:
201.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
79.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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