chempirical

Zirconium carbonate oxide hydrate (Zr3O5(CO3).H2O)

CH2O5Zr2−CAS 12671-00-0185.25 g/mol

Open in Covalent MOL file
H2OOO−O−OZr

Properties

Molecular formula
CH2O5Zr2−
Molar mass
185.25 g/mol
Exact mass
183.8949 Da
logP
-3.39Crippen estimate
Polar surface area
123.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Identifiers

CAS number
12671-00-0
SMILES
O.O=C([O-])[O-].[O].[Zr]
InChIKey
YWBVOWRHAAXQCU-UHFFFAOYSA-L
InChI
InChI=1S/CH2O3.H2O.O.Zr/c2-1(3)4;;;/h(H2,2,3,4);1H2;;/p-2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • Zirconium carbonate oxide (zr3(co3)O5), hydrate (1:1)
  • Zirconium, [carbonato(2-)]pentaoxotri-, hydrate
  • Zirconium carbonate oxide (Zr3(CO3)O5), monohydrate
  • Zirconium, (carbonato)pentaoxotri-, monohydrate
  • Zirconium carbonate monohydrate
  • Zirconium, [carbonato(2-)]pentaoxotri-, monohydrate

Work with Zirconium carbonate oxide hydrate (Zr3O5(CO3).H2O)

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Bismuth subcarbonate5892-10-457 % similar Sodium carbonate decahydrate6132-02-157 % similar Diammonium bis(carbonato)dihydroxyzirconate(2-)68309-95-557 % similar Magnesium carbonate hydroxide39409-82-050 % similar [μ-[Carbonato(2-)-κO:κO′]]dihydroxydioxodizirconium57219-64-450 % similar Hydrotalcite (mg6(co3)[al(oh)6]2(oh)4.4H2O)12304-65-344 % similar Almagate66827-12-144 % similar Cobalt carbonate hydroxide (co5(co3)2(oh)6)12602-23-243 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook