alumane;formic acid;hydrochloride

CH6AlClO2 — CID 173451171

IUPACalumane;formic acid;hydrochloride
SMILESCl.O=CO.[AlH3]
InChIInChI=1S/CH2O2.Al.ClH.3H/c2-1-3;;;;;/h1H,(H,2,3);;1H;;;
InChIKeyTWVCBMSTSCULIR-UHFFFAOYSA-N
MW112.49 g/mol
LogP-1.06
Rot. Bonds

About alumane;formic acid;hydrochloride

alumane;formic acid;hydrochloride (PubChem CID 173451171) has the molecular formula CH6AlClO2 and a molecular weight of 112.49 g/mol. Its IUPAC name is alumane;formic acid;hydrochloride.

Molecular Properties

Compound Namealumane;formic acid;hydrochloride
PubChem CID173451171
Molecular FormulaCH6AlClO2
Molecular Weight112.49 g/mol
Exact Mass111.99
IUPAC Namealumane;formic acid;hydrochloride
SMILESCl.O=CO.[AlH3]
InChIInChI=1S/CH2O2.Al.ClH.3H/c2-1-3;;;;;/h1H,(H,2,3);;1H;;;
InChIKeyTWVCBMSTSCULIR-UHFFFAOYSA-N
XLogP-1.06
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.49
LogP ≤ 5-1.06
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 alumane;formic acid;hydrochloride?
The IUPAC name of alumane;formic acid;hydrochloride (CID 173451171) is alumane;formic acid;hydrochloride.
What is the SMILES notation for alumane;formic acid;hydrochloride?
The canonical SMILES for alumane;formic acid;hydrochloride is Cl.O=CO.[AlH3].
What is the InChIKey of alumane;formic acid;hydrochloride?
The InChIKey is TWVCBMSTSCULIR-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2O2.Al.ClH.3H/c2-1-3;;;;;/h1H,(H,2,3);;1H;;;.
What are the key properties of alumane;formic acid;hydrochloride?
alumane;formic acid;hydrochloride has a molecular weight of 112.49 g/mol, XLogP of -1.06, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;formic acid;hydrochloride is sourced from PubChem (CID 173451171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).