tricalcium;hydride;nitric acid

H7Ca3NO3 — CID 173351072

IUPACtricalcium;hydride;nitric acid
SMILESO=[N+]([O-])O.[Ca+2].[Ca+2].[Ca+2].[H-].[H-].[H-].[H-].[H-].[H-]
InChIInChI=1S/3Ca.HNO3.6H/c;;;2-1(3)4;;;;;;/h;;;(H,2,3,4);;;;;;/q3*+2;;6*-1
InChIKeyGOHRTXJEETXQEK-UHFFFAOYSA-N
MW189.29 g/mol
LogP-0.82
Rot. Bonds

About tricalcium;hydride;nitric acid

tricalcium;hydride;nitric acid (PubChem CID 173351072) has the molecular formula H7Ca3NO3 and a molecular weight of 189.29 g/mol. Its IUPAC name is tricalcium;hydride;nitric acid.

Molecular Properties

Compound Nametricalcium;hydride;nitric acid
PubChem CID173351072
Molecular FormulaH7Ca3NO3
Molecular Weight189.29 g/mol
Exact Mass188.93
IUPAC Nametricalcium;hydride;nitric acid
SMILESO=[N+]([O-])O.[Ca+2].[Ca+2].[Ca+2].[H-].[H-].[H-].[H-].[H-].[H-]
InChIInChI=1S/3Ca.HNO3.6H/c;;;2-1(3)4;;;;;;/h;;;(H,2,3,4);;;;;;/q3*+2;;6*-1
InChIKeyGOHRTXJEETXQEK-UHFFFAOYSA-N
XLogP-0.82
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.29
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Related Compounds

calcium;magnesium;hydride;bis(nitric acid)
CID 173141921
calcium;hydride;bis(nitric acid);hydrochloride
CID 173046786
calcium;hydride;nitric acid;zinc;hydrochloride
CID 173331234
dipotassium;hydride;nitric acid
CID 173026465
pentapotassium;hydride;pentadecakis(nitric acid)
CID 173454333
magnesium;hydride;tris(nitric acid)
CID 173386256
potassium;hydride;tetrakis(nitric acid)
CID 173316593
sodium;hydride;nitric acid
CID 174891443
barium(2+);hydride;nitric acid
CID 172995919
calcium;azane;bis(nitric acid);dinitrate
CID 173116154
beryllium;hydride;nitric acid;trihydrate
CID 173051038
potassium;hydride;nitric acid;silver
CID 173442330

Frequently Asked Questions

What is the IUPAC name of tricalcium;hydride;nitric acid?
The IUPAC name of tricalcium;hydride;nitric acid (CID 173351072) is tricalcium;hydride;nitric acid.
What is the SMILES notation for tricalcium;hydride;nitric acid?
The canonical SMILES for tricalcium;hydride;nitric acid is O=[N+]([O-])O.[Ca+2].[Ca+2].[Ca+2].[H-].[H-].[H-].[H-].[H-].[H-].
What is the InChIKey of tricalcium;hydride;nitric acid?
The InChIKey is GOHRTXJEETXQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/3Ca.HNO3.6H/c;;;2-1(3)4;;;;;;/h;;;(H,2,3,4);;;;;;/q3*+2;;6*-1.
What are the key properties of tricalcium;hydride;nitric acid?
tricalcium;hydride;nitric acid has a molecular weight of 189.29 g/mol, XLogP of -0.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tricalcium;hydride;nitric acid is sourced from PubChem (CID 173351072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).