acetic acid;ozone

C2H4O5 — CID 22743589

IUPACacetic acid;ozone
SMILESCC(=O)O.O=[O+][O-]
InChIInChI=1S/C2H4O2.O3/c1-2(3)4;1-3-2/h1H3,(H,3,4);
InChIKeyZQAJYOBUUSWDDH-UHFFFAOYSA-N
MW108.05 g/mol
LogP-1.03
Rot. Bonds

About acetic acid;ozone

acetic acid;ozone (PubChem CID 22743589) has the molecular formula C2H4O5 and a molecular weight of 108.05 g/mol. Its IUPAC name is acetic acid;ozone.

Molecular Properties

Compound Nameacetic acid;ozone
PubChem CID22743589
Molecular FormulaC2H4O5
Molecular Weight108.05 g/mol
Exact Mass108.01
IUPAC Nameacetic acid;ozone
SMILESCC(=O)O.O=[O+][O-]
InChIInChI=1S/C2H4O2.O3/c1-2(3)4;1-3-2/h1H3,(H,3,4);
InChIKeyZQAJYOBUUSWDDH-UHFFFAOYSA-N
XLogP-1.03
TPSA88.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.05
LogP ≤ 5-1.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

acetic acid
CID 158444727
acetic acid;stibane
CID 173054099
acetic acid;methanol
CID 173388753
acetic acid;ethane
CID 173226324
acetic acid;ethane
CID 173070051
acetic acid;cobalt
CID 54602348
acetic acid;tris(yttrium)
CID 59994727
acetic acid;nickel(2+)
CID 22169473
acetic acid;cobalt
CID 59294242
acetic acid;vanadium
CID 173443465
acetic acid;germane
CID 174334920
acetic acid;ruthenium
CID 175502908

Frequently Asked Questions

What is the IUPAC name of acetic acid;ozone?
The IUPAC name of acetic acid;ozone (CID 22743589) is acetic acid;ozone.
What is the SMILES notation for acetic acid;ozone?
The canonical SMILES for acetic acid;ozone is CC(=O)O.O=[O+][O-].
What is the InChIKey of acetic acid;ozone?
The InChIKey is ZQAJYOBUUSWDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2.O3/c1-2(3)4;1-3-2/h1H3,(H,3,4);.
What are the key properties of acetic acid;ozone?
acetic acid;ozone has a molecular weight of 108.05 g/mol, XLogP of -1.03, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;ozone is sourced from PubChem (CID 22743589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).