alumane;formic acid

CH5AlO2 — CID 172998514

IUPACalumane;formic acid
SMILESO=CO.[AlH3]
InChIInChI=1S/CH2O2.Al.3H/c2-1-3;;;;/h1H,(H,2,3);;;;
InChIKeyRQZJXKNJDCPSRK-UHFFFAOYSA-N
MW76.03 g/mol
LogP-1.48
Rot. Bonds

About alumane;formic acid

alumane;formic acid (PubChem CID 172998514) has the molecular formula CH5AlO2 and a molecular weight of 76.03 g/mol. Its IUPAC name is alumane;formic acid.

Molecular Properties

Compound Namealumane;formic acid
PubChem CID172998514
Molecular FormulaCH5AlO2
Molecular Weight76.03 g/mol
Exact Mass76.01
IUPAC Namealumane;formic acid
SMILESO=CO.[AlH3]
InChIInChI=1S/CH2O2.Al.3H/c2-1-3;;;;/h1H,(H,2,3);;;;
InChIKeyRQZJXKNJDCPSRK-UHFFFAOYSA-N
XLogP-1.48
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50076.03
LogP ≤ 5-1.48
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?
The IUPAC name of alumane;formic acid (CID 172998514) is alumane;formic acid.
What is the SMILES notation for alumane;formic acid?
The canonical SMILES for alumane;formic acid is O=CO.[AlH3].
What is the InChIKey of alumane;formic acid?
The InChIKey is RQZJXKNJDCPSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2O2.Al.3H/c2-1-3;;;;/h1H,(H,2,3);;;;.
What are the key properties of alumane;formic acid?
alumane;formic acid has a molecular weight of 76.03 g/mol, XLogP of -1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;formic acid is sourced from PubChem (CID 172998514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).