calcium;amino carbonate;hydroxide

CH3CaNO4 — CID 155045529

IUPACcalcium;amino carbonate;hydroxide
SMILESNOC(=O)[O-].[Ca+2].[OH-]
InChIInChI=1S/CH3NO3.Ca.H2O/c2-5-1(3)4;;/h2H2,(H,3,4);;1H2/q;+2;/p-2
InChIKeyGMNRBGMPWHMVSW-UHFFFAOYSA-L
MW133.12 g/mol
LogP-2.34
Rot. Bonds

About calcium;amino carbonate;hydroxide

calcium;amino carbonate;hydroxide (PubChem CID 155045529) has the molecular formula CH3CaNO4 and a molecular weight of 133.12 g/mol. Its IUPAC name is calcium;amino carbonate;hydroxide.

Molecular Properties

Compound Namecalcium;amino carbonate;hydroxide
PubChem CID155045529
Molecular FormulaCH3CaNO4
Molecular Weight133.12 g/mol
Exact Mass132.97
IUPAC Namecalcium;amino carbonate;hydroxide
SMILESNOC(=O)[O-].[Ca+2].[OH-]
InChIInChI=1S/CH3NO3.Ca.H2O/c2-5-1(3)4;;/h2H2,(H,3,4);;1H2/q;+2;/p-2
InChIKeyGMNRBGMPWHMVSW-UHFFFAOYSA-L
XLogP-2.34
TPSA105.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.12
LogP ≤ 5-2.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of calcium;amino carbonate;hydroxide?
The IUPAC name of calcium;amino carbonate;hydroxide (CID 155045529) is calcium;amino carbonate;hydroxide.
What is the SMILES notation for calcium;amino carbonate;hydroxide?
The canonical SMILES for calcium;amino carbonate;hydroxide is NOC(=O)[O-].[Ca+2].[OH-].
What is the InChIKey of calcium;amino carbonate;hydroxide?
The InChIKey is GMNRBGMPWHMVSW-UHFFFAOYSA-L. The full InChI is InChI=1S/CH3NO3.Ca.H2O/c2-5-1(3)4;;/h2H2,(H,3,4);;1H2/q;+2;/p-2.
What are the key properties of calcium;amino carbonate;hydroxide?
calcium;amino carbonate;hydroxide has a molecular weight of 133.12 g/mol, XLogP of -2.34, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;amino carbonate;hydroxide is sourced from PubChem (CID 155045529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).