CID 174504401

CH6AlO3 — CID 174504401

IUPAC—
SMILESO.O=CO.[AlH2]
InChIInChI=1S/CH2O2.Al.H2O.2H/c2-1-3;;;;/h1H,(H,2,3);;1H2;;
InChIKeyJQRWPNZQXLAZMK-UHFFFAOYSA-N
MW93.04 g/mol
LogP-2.04
Rot. Bonds

About CID 174504401

CID 174504401 (PubChem CID 174504401) has the molecular formula CH6AlO3 and a molecular weight of 93.04 g/mol.

Molecular Properties

Compound NameCID 174504401
PubChem CID174504401
Molecular FormulaCH6AlO3
Molecular Weight93.04 g/mol
Exact Mass93.01
IUPAC Name—
SMILESO.O=CO.[AlH2]
InChIInChI=1S/CH2O2.Al.H2O.2H/c2-1-3;;;;/h1H,(H,2,3);;1H2;;
InChIKeyJQRWPNZQXLAZMK-UHFFFAOYSA-N
XLogP-2.04
TPSA68.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.04
LogP ≤ 5-2.04
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 174504401?
The IUPAC name of CID 174504401 (CID 174504401) is not available.
What is the SMILES notation for CID 174504401?
The canonical SMILES for CID 174504401 is O.O=CO.[AlH2].
What is the InChIKey of CID 174504401?
The InChIKey is JQRWPNZQXLAZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2O2.Al.H2O.2H/c2-1-3;;;;/h1H,(H,2,3);;1H2;;.
What are the key properties of CID 174504401?
CID 174504401 has a molecular weight of 93.04 g/mol, XLogP of -2.04, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174504401 is sourced from PubChem (CID 174504401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).