calcium;bis(furan-2-carboxylate);hydrate

C10H8CaO7 — CID 160535503

IUPACcalcium;bis(furan-2-carboxylate);hydrate
SMILESO.O=C([O-])c1ccco1.O=C([O-])c1ccco1.[Ca+2]
InChIInChI=1S/2C5H4O3.Ca.H2O/c2*6-5(7)4-2-1-3-8-4;;/h2*1-3H,(H,6,7);;1H2/q;;+2;/p-2
InChIKeyQWCGIRDRWMKJGW-UHFFFAOYSA-L
MW280.25 g/mol
LogP-1.92
Rot. Bonds2

About calcium;bis(furan-2-carboxylate);hydrate

calcium;bis(furan-2-carboxylate);hydrate (PubChem CID 160535503) has the molecular formula C10H8CaO7 and a molecular weight of 280.25 g/mol. Its IUPAC name is calcium;bis(furan-2-carboxylate);hydrate.

Molecular Properties

Compound Namecalcium;bis(furan-2-carboxylate);hydrate
PubChem CID160535503
Molecular FormulaC10H8CaO7
Molecular Weight280.25 g/mol
Exact Mass279.99
IUPAC Namecalcium;bis(furan-2-carboxylate);hydrate
SMILESO.O=C([O-])c1ccco1.O=C([O-])c1ccco1.[Ca+2]
InChIInChI=1S/2C5H4O3.Ca.H2O/c2*6-5(7)4-2-1-3-8-4;;/h2*1-3H,(H,6,7);;1H2/q;;+2;/p-2
InChIKeyQWCGIRDRWMKJGW-UHFFFAOYSA-L
XLogP-1.92
TPSA138.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 5-1.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

cesium furan-2-carboxylate
CID 140900702
sodium furan-2-carboxylate
CID 19205589
chromium(3+);tris(furan-2-carboxylate)
CID 158568014
copper;bis(furan-2-carboxylate);furan-2-carboxylic acid
CID 158113396
tris(dimethyl(methylsulfanyl)sulfanium);tris(furan-2-carboxylate)
CID 162078392
furan-2-carboxylic acid;silver
CID 87285311
zinc furan-2-carboxylic acid
CID 25022579
furan-2-carboxylic acid;gold
CID 174701575
furan-2-yl(phosphanyl)methanone
CID 151549332
bis(furan-2-carbothioic S-acid);hydrochloride
CID 122655797
bis(furan-2-carbonyl)phosphanyl-(furan-2-yl)methanone
CID 18432898
Se-(furan-2-carbonylselanyl) furan-2-carboselenoate
CID 14909312

Frequently Asked Questions

What is the IUPAC name of calcium;bis(furan-2-carboxylate);hydrate?
The IUPAC name of calcium;bis(furan-2-carboxylate);hydrate (CID 160535503) is calcium;bis(furan-2-carboxylate);hydrate.
What is the SMILES notation for calcium;bis(furan-2-carboxylate);hydrate?
The canonical SMILES for calcium;bis(furan-2-carboxylate);hydrate is O.O=C([O-])c1ccco1.O=C([O-])c1ccco1.[Ca+2].
What is the InChIKey of calcium;bis(furan-2-carboxylate);hydrate?
The InChIKey is QWCGIRDRWMKJGW-UHFFFAOYSA-L. The full InChI is InChI=1S/2C5H4O3.Ca.H2O/c2*6-5(7)4-2-1-3-8-4;;/h2*1-3H,(H,6,7);;1H2/q;;+2;/p-2.
What are the key properties of calcium;bis(furan-2-carboxylate);hydrate?
calcium;bis(furan-2-carboxylate);hydrate has a molecular weight of 280.25 g/mol, XLogP of -1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;bis(furan-2-carboxylate);hydrate is sourced from PubChem (CID 160535503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).