sodium furan-2-carboxylate

C5H3NaO3 — CID 19205589

IUPACsodium furan-2-carboxylate
SMILESO=C([O-])c1ccco1.[Na+]
InChIInChI=1S/C5H4O3.Na/c6-5(7)4-2-1-3-8-4;/h1-3H,(H,6,7);/q;+1/p-1
InChIKeyHDCRDACZYDHUQX-UHFFFAOYSA-M
MW134.07 g/mol
LogP-3.35
Rot. Bonds1

About sodium furan-2-carboxylate

sodium furan-2-carboxylate (PubChem CID 19205589) has the molecular formula C5H3NaO3 and a molecular weight of 134.07 g/mol. Its IUPAC name is sodium furan-2-carboxylate.

Molecular Properties

Compound Namesodium furan-2-carboxylate
PubChem CID19205589
Molecular FormulaC5H3NaO3
Molecular Weight134.07 g/mol
Exact Mass134.00
IUPAC Namesodium furan-2-carboxylate
SMILESO=C([O-])c1ccco1.[Na+]
InChIInChI=1S/C5H4O3.Na/c6-5(7)4-2-1-3-8-4;/h1-3H,(H,6,7);/q;+1/p-1
InChIKeyHDCRDACZYDHUQX-UHFFFAOYSA-M
XLogP-3.35
TPSA53.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.07
LogP ≤ 5-3.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cesium furan-2-carboxylate
CID 140900702
chromium(3+);tris(furan-2-carboxylate)
CID 158568014
calcium;bis(furan-2-carboxylate);hydrate
CID 160535503
copper;bis(furan-2-carboxylate);furan-2-carboxylic acid
CID 158113396
tris(dimethyl(methylsulfanyl)sulfanium);tris(furan-2-carboxylate)
CID 162078392
zinc furan-2-carboxylic acid
CID 25022579
furan-2-carboxylic acid;gold
CID 174701575
furan-2-carboxylic acid;silver
CID 87285311
furan-2-yl(phosphanyl)methanone
CID 151549332
bis(furan-2-carbothioic S-acid);hydrochloride
CID 122655797
Se-(furan-2-carbonyl) furan-2-carboselenoate
CID 10967528
bis(furan-2-carbonyl)phosphanyl-(furan-2-yl)methanone
CID 18432898

Frequently Asked Questions

What is the IUPAC name of sodium furan-2-carboxylate?
The IUPAC name of sodium furan-2-carboxylate (CID 19205589) is sodium furan-2-carboxylate.
What is the SMILES notation for sodium furan-2-carboxylate?
The canonical SMILES for sodium furan-2-carboxylate is O=C([O-])c1ccco1.[Na+].
What is the InChIKey of sodium furan-2-carboxylate?
The InChIKey is HDCRDACZYDHUQX-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H4O3.Na/c6-5(7)4-2-1-3-8-4;/h1-3H,(H,6,7);/q;+1/p-1.
What are the key properties of sodium furan-2-carboxylate?
sodium furan-2-carboxylate has a molecular weight of 134.07 g/mol, XLogP of -3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium furan-2-carboxylate is sourced from PubChem (CID 19205589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).