acetic acid;hydroxy(oxo)alumane

C2H5AlO4 — CID 88688479

IUPACacetic acid;hydroxy(oxo)alumane
SMILESCC(=O)O.O=[Al]O
InChIInChI=1S/C2H4O2.Al.H2O.O/c1-2(3)4;;;/h1H3,(H,3,4);;1H2;/q;+1;;/p-1
InChIKeyVOFWWEIDICJJMR-UHFFFAOYSA-M
MW120.04 g/mol
LogP-0.97
Rot. Bonds

About acetic acid;hydroxy(oxo)alumane

acetic acid;hydroxy(oxo)alumane (PubChem CID 88688479) has the molecular formula C2H5AlO4 and a molecular weight of 120.04 g/mol. Its IUPAC name is acetic acid;hydroxy(oxo)alumane.

Molecular Properties

Compound Nameacetic acid;hydroxy(oxo)alumane
PubChem CID88688479
Molecular FormulaC2H5AlO4
Molecular Weight120.04 g/mol
Exact Mass120.00
IUPAC Nameacetic acid;hydroxy(oxo)alumane
SMILESCC(=O)O.O=[Al]O
InChIInChI=1S/C2H4O2.Al.H2O.O/c1-2(3)4;;;/h1H3,(H,3,4);;1H2;/q;+1;;/p-1
InChIKeyVOFWWEIDICJJMR-UHFFFAOYSA-M
XLogP-0.97
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.04
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of acetic acid;hydroxy(oxo)alumane?
The IUPAC name of acetic acid;hydroxy(oxo)alumane (CID 88688479) is acetic acid;hydroxy(oxo)alumane.
What is the SMILES notation for acetic acid;hydroxy(oxo)alumane?
The canonical SMILES for acetic acid;hydroxy(oxo)alumane is CC(=O)O.O=[Al]O.
What is the InChIKey of acetic acid;hydroxy(oxo)alumane?
The InChIKey is VOFWWEIDICJJMR-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H4O2.Al.H2O.O/c1-2(3)4;;;/h1H3,(H,3,4);;1H2;/q;+1;;/p-1.
What are the key properties of acetic acid;hydroxy(oxo)alumane?
acetic acid;hydroxy(oxo)alumane has a molecular weight of 120.04 g/mol, XLogP of -0.97, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;hydroxy(oxo)alumane is sourced from PubChem (CID 88688479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).