calcium;sodium;formyl acetate;hydride

C3H7CaNaO3 — CID 173454549

IUPACcalcium;sodium;formyl acetate;hydride
SMILESCC(=O)OC=O.[Ca+2].[H-].[H-].[H-].[Na+]
InChIInChI=1S/C3H4O3.Ca.Na.3H/c1-3(5)6-2-4;;;;;/h2H,1H3;;;;;/q;+2;+1;3*-1
InChIKeyYOWRDCVCFKECCZ-UHFFFAOYSA-N
MW154.15 g/mol
LogP-3.33
Rot. Bonds1

About calcium;sodium;formyl acetate;hydride

calcium;sodium;formyl acetate;hydride (PubChem CID 173454549) has the molecular formula C3H7CaNaO3 and a molecular weight of 154.15 g/mol. Its IUPAC name is calcium;sodium;formyl acetate;hydride.

Molecular Properties

Compound Namecalcium;sodium;formyl acetate;hydride
PubChem CID173454549
Molecular FormulaC3H7CaNaO3
Molecular Weight154.15 g/mol
Exact Mass153.99
IUPAC Namecalcium;sodium;formyl acetate;hydride
SMILESCC(=O)OC=O.[Ca+2].[H-].[H-].[H-].[Na+]
InChIInChI=1S/C3H4O3.Ca.Na.3H/c1-3(5)6-2-4;;;;;/h2H,1H3;;;;;/q;+2;+1;3*-1
InChIKeyYOWRDCVCFKECCZ-UHFFFAOYSA-N
XLogP-3.33
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.15
LogP ≤ 5-3.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze calcium;sodium;formyl acetate;hydride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

formyl acetate;trihydrate
CID 174475141
azane;formyl acetate
CID 87373456
acetonitrile;azane;formyl acetate
CID 174795258
calcium;sodium;carboxy formate;hydride
CID 173156928
formyl 2-oxopropanoate
CID 57478633
sodium;amino acetate;hydride;hydrochloride
CID 174988291
ethenyl acetate;ethenyl formate
CID 19370025
trisodium;3-O-formyl 1-O-methyl propanedioate;hydride
CID 173454112
dicalcium;acetyl acetate;hydride
CID 174404063
ethenyl acetate;formic acid
CID 175608061
ethenyl acetate
CID 7904
acetyloxymethylidenetungsten
CID 158334876

Frequently Asked Questions

What is the IUPAC name of calcium;sodium;formyl acetate;hydride?
The IUPAC name of calcium;sodium;formyl acetate;hydride (CID 173454549) is calcium;sodium;formyl acetate;hydride.
What is the SMILES notation for calcium;sodium;formyl acetate;hydride?
The canonical SMILES for calcium;sodium;formyl acetate;hydride is CC(=O)OC=O.[Ca+2].[H-].[H-].[H-].[Na+].
What is the InChIKey of calcium;sodium;formyl acetate;hydride?
The InChIKey is YOWRDCVCFKECCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O3.Ca.Na.3H/c1-3(5)6-2-4;;;;;/h2H,1H3;;;;;/q;+2;+1;3*-1.
What are the key properties of calcium;sodium;formyl acetate;hydride?
calcium;sodium;formyl acetate;hydride has a molecular weight of 154.15 g/mol, XLogP of -3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;sodium;formyl acetate;hydride is sourced from PubChem (CID 173454549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).