CID 131858412

C3H6AlO6 — CID 131858412

IUPAC—
SMILESO=CO.O=CO.O=CO.[Al]
InChIInChI=1S/3CH2O2.Al/c3*2-1-3;/h3*1H,(H,2,3);
InChIKeyFMHGODNMWPGVDG-UHFFFAOYSA-N
MW165.06 g/mol
LogP-1.28
Rot. Bonds

About CID 131858412

CID 131858412 (PubChem CID 131858412) has the molecular formula C3H6AlO6 and a molecular weight of 165.06 g/mol.

Molecular Properties

Compound NameCID 131858412
PubChem CID131858412
Molecular FormulaC3H6AlO6
Molecular Weight165.06 g/mol
Exact Mass165.00
IUPAC Name—
SMILESO=CO.O=CO.O=CO.[Al]
InChIInChI=1S/3CH2O2.Al/c3*2-1-3;/h3*1H,(H,2,3);
InChIKeyFMHGODNMWPGVDG-UHFFFAOYSA-N
XLogP-1.28
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.06
LogP ≤ 5-1.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 131858412?
The IUPAC name of CID 131858412 (CID 131858412) is not available.
What is the SMILES notation for CID 131858412?
The canonical SMILES for CID 131858412 is O=CO.O=CO.O=CO.[Al].
What is the InChIKey of CID 131858412?
The InChIKey is FMHGODNMWPGVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/3CH2O2.Al/c3*2-1-3;/h3*1H,(H,2,3);.
What are the key properties of CID 131858412?
CID 131858412 has a molecular weight of 165.06 g/mol, XLogP of -1.28, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 131858412 is sourced from PubChem (CID 131858412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).