acetic acid;carbon dioxide

C3H4O4 — CID 20548441

IUPACacetic acid;carbon dioxide
SMILESCC(=O)O.O=C=O
InChIInChI=1S/C2H4O2.CO2/c1-2(3)4;2-1-3/h1H3,(H,3,4);
InChIKeyOKGAXYJKMDXGQY-UHFFFAOYSA-N
MW104.06 g/mol
LogP-0.49
Rot. Bonds

About acetic acid;carbon dioxide

acetic acid;carbon dioxide (PubChem CID 20548441) has the molecular formula C3H4O4 and a molecular weight of 104.06 g/mol. Its IUPAC name is acetic acid;carbon dioxide.

Molecular Properties

Compound Nameacetic acid;carbon dioxide
PubChem CID20548441
Molecular FormulaC3H4O4
Molecular Weight104.06 g/mol
Exact Mass104.01
IUPAC Nameacetic acid;carbon dioxide
SMILESCC(=O)O.O=C=O
InChIInChI=1S/C2H4O2.CO2/c1-2(3)4;2-1-3/h1H3,(H,3,4);
InChIKeyOKGAXYJKMDXGQY-UHFFFAOYSA-N
XLogP-0.49
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.06
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of acetic acid;carbon dioxide?
The IUPAC name of acetic acid;carbon dioxide (CID 20548441) is acetic acid;carbon dioxide.
What is the SMILES notation for acetic acid;carbon dioxide?
The canonical SMILES for acetic acid;carbon dioxide is CC(=O)O.O=C=O.
What is the InChIKey of acetic acid;carbon dioxide?
The InChIKey is OKGAXYJKMDXGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2.CO2/c1-2(3)4;2-1-3/h1H3,(H,3,4);.
What are the key properties of acetic acid;carbon dioxide?
acetic acid;carbon dioxide has a molecular weight of 104.06 g/mol, XLogP of -0.49, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;carbon dioxide is sourced from PubChem (CID 20548441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).