calcium;acetate;nitrate

C2H3CaNO5 — CID 175242971

IUPACcalcium;acetate;nitrate
SMILESCC(=O)[O-].O=[N+]([O-])[O-].[Ca+2]
InChIInChI=1S/C2H4O2.Ca.NO3/c1-2(3)4;;2-1(3)4/h1H3,(H,3,4);;/q;+2;-1/p-1
InChIKeySHGMLQLPTZSBBI-UHFFFAOYSA-M
MW161.13 g/mol
LogP-1.86
Rot. Bonds

About calcium;acetate;nitrate

calcium;acetate;nitrate (PubChem CID 175242971) has the molecular formula C2H3CaNO5 and a molecular weight of 161.13 g/mol. Its IUPAC name is calcium;acetate;nitrate.

Molecular Properties

Compound Namecalcium;acetate;nitrate
PubChem CID175242971
Molecular FormulaC2H3CaNO5
Molecular Weight161.13 g/mol
Exact Mass160.96
IUPAC Namecalcium;acetate;nitrate
SMILESCC(=O)[O-].O=[N+]([O-])[O-].[Ca+2]
InChIInChI=1S/C2H4O2.Ca.NO3/c1-2(3)4;;2-1(3)4/h1H3,(H,3,4);;/q;+2;-1/p-1
InChIKeySHGMLQLPTZSBBI-UHFFFAOYSA-M
XLogP-1.86
TPSA106.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.13
LogP ≤ 5-1.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

bis(cerium(3+));acetate;nitrate
CID 22023657
azanium;sodium;acetate;nitrate
CID 141287882
potassium;sodium;acetate;nitrate;trihydrate
CID 171618284
hydrazine;silver;acetate;nitrate
CID 175333281
dicalcium;carbonate;dinitrate
CID 19782802
tricalcium diacetate
CID 19804487
nitric acid;bis(ruthenium(3+));hexaacetate
CID 172717903
calcium;sodium;carbonate;nitrate
CID 158157140
bis(cadmium(2+));acetate;bromide
CID 172734045
cadmium(2+);acetate;chloride
CID 160756962
calcium;azane;acetate
CID 19433381
acetic acid;cobalt(3+);trinitrate
CID 174400118

Frequently Asked Questions

What is the IUPAC name of calcium;acetate;nitrate?
The IUPAC name of calcium;acetate;nitrate (CID 175242971) is calcium;acetate;nitrate.
What is the SMILES notation for calcium;acetate;nitrate?
The canonical SMILES for calcium;acetate;nitrate is CC(=O)[O-].O=[N+]([O-])[O-].[Ca+2].
What is the InChIKey of calcium;acetate;nitrate?
The InChIKey is SHGMLQLPTZSBBI-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H4O2.Ca.NO3/c1-2(3)4;;2-1(3)4/h1H3,(H,3,4);;/q;+2;-1/p-1.
What are the key properties of calcium;acetate;nitrate?
calcium;acetate;nitrate has a molecular weight of 161.13 g/mol, XLogP of -1.86, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;acetate;nitrate is sourced from PubChem (CID 175242971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).