CID 57473405

CH2AlO2 — CID 57473405

IUPAC—
SMILESO=CO.[Al]
InChIInChI=1S/CH2O2.Al/c2-1-3;/h1H,(H,2,3);
InChIKeyBHUPJYSNSFVFNJ-UHFFFAOYSA-N
MW73.01 g/mol
LogP-0.68
Rot. Bonds

About CID 57473405

CID 57473405 (PubChem CID 57473405) has the molecular formula CH2AlO2 and a molecular weight of 73.01 g/mol.

Molecular Properties

Compound NameCID 57473405
PubChem CID57473405
Molecular FormulaCH2AlO2
Molecular Weight73.01 g/mol
Exact Mass72.99
IUPAC Name—
SMILESO=CO.[Al]
InChIInChI=1S/CH2O2.Al/c2-1-3;/h1H,(H,2,3);
InChIKeyBHUPJYSNSFVFNJ-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 ≤ 50073.01
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 57473405?
The IUPAC name of CID 57473405 (CID 57473405) is not available.
What is the SMILES notation for CID 57473405?
The canonical SMILES for CID 57473405 is O=CO.[Al].
What is the InChIKey of CID 57473405?
The InChIKey is BHUPJYSNSFVFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2O2.Al/c2-1-3;/h1H,(H,2,3);.
What are the key properties of CID 57473405?
CID 57473405 has a molecular weight of 73.01 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 57473405 is sourced from PubChem (CID 57473405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).