CID 87069860

C2H4MgO3 — CID 87069860

IUPAC—
SMILESCC(=O)OO.[Mg]
InChIInChI=1S/C2H4O3.Mg/c1-2(3)5-4;/h4H,1H3;
InChIKeyUYXQSEVJEOMGFV-UHFFFAOYSA-N
MW100.36 g/mol
LogP-0.36
Rot. Bonds

About CID 87069860

CID 87069860 (PubChem CID 87069860) has the molecular formula C2H4MgO3 and a molecular weight of 100.36 g/mol.

Molecular Properties

Compound NameCID 87069860
PubChem CID87069860
Molecular FormulaC2H4MgO3
Molecular Weight100.36 g/mol
Exact Mass100.00
IUPAC Name—
SMILESCC(=O)OO.[Mg]
InChIInChI=1S/C2H4O3.Mg/c1-2(3)5-4;/h4H,1H3;
InChIKeyUYXQSEVJEOMGFV-UHFFFAOYSA-N
XLogP-0.36
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.36
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 87069860?
The IUPAC name of CID 87069860 (CID 87069860) is not available.
What is the SMILES notation for CID 87069860?
The canonical SMILES for CID 87069860 is CC(=O)OO.[Mg].
What is the InChIKey of CID 87069860?
The InChIKey is UYXQSEVJEOMGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O3.Mg/c1-2(3)5-4;/h4H,1H3;.
What are the key properties of CID 87069860?
CID 87069860 has a molecular weight of 100.36 g/mol, XLogP of -0.36, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87069860 is sourced from PubChem (CID 87069860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).