calcium;azane;acetate

C2H6CaNO2+ — CID 19433381

IUPACcalcium;azane;acetate
SMILESCC(=O)[O-].N.[Ca+2]
InChIInChI=1S/C2H4O2.Ca.H3N/c1-2(3)4;;/h1H3,(H,3,4);;1H3/q;+2;/p-1
InChIKeyAIRGDABFKMBKCZ-UHFFFAOYSA-M
MW116.15 g/mol
LogP-1.46
Rot. Bonds

About calcium;azane;acetate

calcium;azane;acetate (PubChem CID 19433381) has the molecular formula C2H6CaNO2+ and a molecular weight of 116.15 g/mol. Its IUPAC name is calcium;azane;acetate.

Molecular Properties

Compound Namecalcium;azane;acetate
PubChem CID19433381
Molecular FormulaC2H6CaNO2+
Molecular Weight116.15 g/mol
Exact Mass116.00
IUPAC Namecalcium;azane;acetate
SMILESCC(=O)[O-].N.[Ca+2]
InChIInChI=1S/C2H4O2.Ca.H3N/c1-2(3)4;;/h1H3,(H,3,4);;1H3/q;+2;/p-1
InChIKeyAIRGDABFKMBKCZ-UHFFFAOYSA-M
XLogP-1.46
TPSA75.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.15
LogP ≤ 5-1.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tricalcium diacetate
CID 19804487
azane;rhodium(3+);triacetate
CID 173157111
silver;azane;acetate
CID 160849011
calcium;hydrogen carbonate;acetate
CID 138401342
tricalcium;acetate;carbonate;chloride
CID 159671387
sodium;azane;acetate;hydrate
CID 173286300
CID 87243144
CID 87243144
bis(titanium(2+));tetraacetate
CID 18459511
tris(barium(2+)) diacetate
CID 19804496
nonasodium;nonaacetate
CID 173443222
uranium hexaacetate
CID 20541057
zirconium acetate
CID 18596

Frequently Asked Questions

What is the IUPAC name of calcium;azane;acetate?
The IUPAC name of calcium;azane;acetate (CID 19433381) is calcium;azane;acetate.
What is the SMILES notation for calcium;azane;acetate?
The canonical SMILES for calcium;azane;acetate is CC(=O)[O-].N.[Ca+2].
What is the InChIKey of calcium;azane;acetate?
The InChIKey is AIRGDABFKMBKCZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H4O2.Ca.H3N/c1-2(3)4;;/h1H3,(H,3,4);;1H3/q;+2;/p-1.
What are the key properties of calcium;azane;acetate?
calcium;azane;acetate has a molecular weight of 116.15 g/mol, XLogP of -1.46, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;azane;acetate is sourced from PubChem (CID 19433381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).