acetic acid;alumanyl acetate

C4H9AlO4 — CID 174439489

IUPACacetic acid;alumanyl acetate
SMILESCC(=O)O.CC(=O)O[AlH2]
InChIInChI=1S/2C2H4O2.Al.2H/c2*1-2(3)4;;;/h2*1H3,(H,3,4);;;/q;;+1;;/p-1
InChIKeyASFLRKFIGVFIOT-UHFFFAOYSA-M
MW148.09 g/mol
LogP-0.81
Rot. Bonds

About acetic acid;alumanyl acetate

acetic acid;alumanyl acetate (PubChem CID 174439489) has the molecular formula C4H9AlO4 and a molecular weight of 148.09 g/mol. Its IUPAC name is acetic acid;alumanyl acetate.

Molecular Properties

Compound Nameacetic acid;alumanyl acetate
PubChem CID174439489
Molecular FormulaC4H9AlO4
Molecular Weight148.09 g/mol
Exact Mass148.03
IUPAC Nameacetic acid;alumanyl acetate
SMILESCC(=O)O.CC(=O)O[AlH2]
InChIInChI=1S/2C2H4O2.Al.2H/c2*1-2(3)4;;;/h2*1H3,(H,3,4);;;/q;;+1;;/p-1
InChIKeyASFLRKFIGVFIOT-UHFFFAOYSA-M
XLogP-0.81
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.09
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

acetic acid;ruthenium
CID 175502908
alumanyl acetate;isocyanic acid
CID 175034447
calcium;acetic acid;dichloride
CID 174437121
acetic acid;molybdenum;nickel
CID 174906358
acetic acid;cobalt;molybdenum
CID 174687861
acetic acid
CID 158444727
alumanyl acetate;methane;pyridine
CID 174839207
calcium;sodium;acetic acid;hydride
CID 173169093
acetic acid;diacetyloxystibanyl acetate;zinc
CID 175934647
acetic acid;ethane
CID 173070051
acetic acid;cobalt
CID 54602348
acetic acid;germane
CID 174334920

Frequently Asked Questions

What is the IUPAC name of acetic acid;alumanyl acetate?
The IUPAC name of acetic acid;alumanyl acetate (CID 174439489) is acetic acid;alumanyl acetate.
What is the SMILES notation for acetic acid;alumanyl acetate?
The canonical SMILES for acetic acid;alumanyl acetate is CC(=O)O.CC(=O)O[AlH2].
What is the InChIKey of acetic acid;alumanyl acetate?
The InChIKey is ASFLRKFIGVFIOT-UHFFFAOYSA-M. The full InChI is InChI=1S/2C2H4O2.Al.2H/c2*1-2(3)4;;;/h2*1H3,(H,3,4);;;/q;;+1;;/p-1.
What are the key properties of acetic acid;alumanyl acetate?
acetic acid;alumanyl acetate has a molecular weight of 148.09 g/mol, XLogP of -0.81, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;alumanyl acetate is sourced from PubChem (CID 174439489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).