carbonic acid;nickel;heptahydrate

C2H18Ni5O13 — CID 22836395

IUPACcarbonic acid;nickel;heptahydrate
SMILESO.O.O.O.O.O.O.O=C(O)O.O=C(O)O.[Ni].[Ni].[Ni].[Ni].[Ni]
InChIInChI=1S/2CH2O3.5Ni.7H2O/c2*2-1(3)4;;;;;;;;;;;;/h2*(H2,2,3,4);;;;;;7*1H2
InChIKeyIGJYBFWLIXZALR-UHFFFAOYSA-N
MW543.62 g/mol
LogP-5.34
Rot. Bonds

About carbonic acid;nickel;heptahydrate

carbonic acid;nickel;heptahydrate (PubChem CID 22836395) has the molecular formula C2H18Ni5O13 and a molecular weight of 543.62 g/mol. Its IUPAC name is carbonic acid;nickel;heptahydrate.

Molecular Properties

Compound Namecarbonic acid;nickel;heptahydrate
PubChem CID22836395
Molecular FormulaC2H18Ni5O13
Molecular Weight543.62 g/mol
Exact Mass539.75
IUPAC Namecarbonic acid;nickel;heptahydrate
SMILESO.O.O.O.O.O.O.O=C(O)O.O=C(O)O.[Ni].[Ni].[Ni].[Ni].[Ni]
InChIInChI=1S/2CH2O3.5Ni.7H2O/c2*2-1(3)4;;;;;;;;;;;;/h2*(H2,2,3,4);;;;;;7*1H2
InChIKeyIGJYBFWLIXZALR-UHFFFAOYSA-N
XLogP-5.34
TPSA335.56 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.62
LogP ≤ 5-5.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;nickel;heptahydrate?
The IUPAC name of carbonic acid;nickel;heptahydrate (CID 22836395) is carbonic acid;nickel;heptahydrate.
What is the SMILES notation for carbonic acid;nickel;heptahydrate?
The canonical SMILES for carbonic acid;nickel;heptahydrate is O.O.O.O.O.O.O.O=C(O)O.O=C(O)O.[Ni].[Ni].[Ni].[Ni].[Ni].
What is the InChIKey of carbonic acid;nickel;heptahydrate?
The InChIKey is IGJYBFWLIXZALR-UHFFFAOYSA-N. The full InChI is InChI=1S/2CH2O3.5Ni.7H2O/c2*2-1(3)4;;;;;;;;;;;;/h2*(H2,2,3,4);;;;;;7*1H2.
What are the key properties of carbonic acid;nickel;heptahydrate?
carbonic acid;nickel;heptahydrate has a molecular weight of 543.62 g/mol, XLogP of -5.34, 0 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;nickel;heptahydrate is sourced from PubChem (CID 22836395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).