calcium;nitrate;hexahydrate

H12CaNO9+ — CID 22138076

IUPACcalcium;nitrate;hexahydrate
SMILESO.O.O.O.O.O.O=[N+]([O-])[O-].[Ca+2]
InChIInChI=1S/Ca.NO3.6H2O/c;2-1(3)4;;;;;;/h;;6*1H2/q+2;-1;;;;;;
InChIKeyBLNXKWWLVDNVFF-UHFFFAOYSA-N
MW210.17 g/mol
LogP-5.57
Rot. Bonds

About calcium;nitrate;hexahydrate

calcium;nitrate;hexahydrate (PubChem CID 22138076) has the molecular formula H12CaNO9+ and a molecular weight of 210.17 g/mol. Its IUPAC name is calcium;nitrate;hexahydrate.

Molecular Properties

Compound Namecalcium;nitrate;hexahydrate
PubChem CID22138076
Molecular FormulaH12CaNO9+
Molecular Weight210.17 g/mol
Exact Mass210.01
IUPAC Namecalcium;nitrate;hexahydrate
SMILESO.O.O.O.O.O.O=[N+]([O-])[O-].[Ca+2]
InChIInChI=1S/Ca.NO3.6H2O/c;2-1(3)4;;;;;;/h;;6*1H2/q+2;-1;;;;;;
InChIKeyBLNXKWWLVDNVFF-UHFFFAOYSA-N
XLogP-5.57
TPSA255.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.17
LogP ≤ 5-5.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of calcium;nitrate;hexahydrate?
The IUPAC name of calcium;nitrate;hexahydrate (CID 22138076) is calcium;nitrate;hexahydrate.
What is the SMILES notation for calcium;nitrate;hexahydrate?
The canonical SMILES for calcium;nitrate;hexahydrate is O.O.O.O.O.O.O=[N+]([O-])[O-].[Ca+2].
What is the InChIKey of calcium;nitrate;hexahydrate?
The InChIKey is BLNXKWWLVDNVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/Ca.NO3.6H2O/c;2-1(3)4;;;;;;/h;;6*1H2/q+2;-1;;;;;;.
What are the key properties of calcium;nitrate;hexahydrate?
calcium;nitrate;hexahydrate has a molecular weight of 210.17 g/mol, XLogP of -5.57, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;nitrate;hexahydrate is sourced from PubChem (CID 22138076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).