CID 57473458

CH2MgO2 — CID 57473458

IUPAC—
SMILESO=CO.[Mg]
InChIInChI=1S/CH2O2.Mg/c2-1-3;/h1H,(H,2,3);
InChIKeyHCTJCAORMLSTGD-UHFFFAOYSA-N
MW70.33 g/mol
LogP-0.68
Rot. Bonds

About CID 57473458

CID 57473458 (PubChem CID 57473458) has the molecular formula CH2MgO2 and a molecular weight of 70.33 g/mol.

Molecular Properties

Compound NameCID 57473458
PubChem CID57473458
Molecular FormulaCH2MgO2
Molecular Weight70.33 g/mol
Exact Mass69.99
IUPAC Name—
SMILESO=CO.[Mg]
InChIInChI=1S/CH2O2.Mg/c2-1-3;/h1H,(H,2,3);
InChIKeyHCTJCAORMLSTGD-UHFFFAOYSA-N
XLogP-0.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50070.33
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 57473458?
The IUPAC name of CID 57473458 (CID 57473458) is not available.
What is the SMILES notation for CID 57473458?
The canonical SMILES for CID 57473458 is O=CO.[Mg].
What is the InChIKey of CID 57473458?
The InChIKey is HCTJCAORMLSTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2O2.Mg/c2-1-3;/h1H,(H,2,3);.
What are the key properties of CID 57473458?
CID 57473458 has a molecular weight of 70.33 g/mol, XLogP of -0.68, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57473458 is sourced from PubChem (CID 57473458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).