acetic acid;ethenone

C6H8O4 — CID 174780267

IUPACacetic acid;ethenone
SMILESC=C=O.C=C=O.CC(=O)O
InChIInChI=1S/C2H4O2.2C2H2O/c1-2(3)4;2*1-2-3/h1H3,(H,3,4);2*1H2
InChIKeyLDOFAUXWTOCRJM-UHFFFAOYSA-N
MW144.13 g/mol
LogP0.10
Rot. Bonds

About acetic acid;ethenone

acetic acid;ethenone (PubChem CID 174780267) has the molecular formula C6H8O4 and a molecular weight of 144.13 g/mol. Its IUPAC name is acetic acid;ethenone.

Molecular Properties

Compound Nameacetic acid;ethenone
PubChem CID174780267
Molecular FormulaC6H8O4
Molecular Weight144.13 g/mol
Exact Mass144.04
IUPAC Nameacetic acid;ethenone
SMILESC=C=O.C=C=O.CC(=O)O
InChIInChI=1S/C2H4O2.2C2H2O/c1-2(3)4;2*1-2-3/h1H3,(H,3,4);2*1H2
InChIKeyLDOFAUXWTOCRJM-UHFFFAOYSA-N
XLogP0.10
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}

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Related Compounds

acetic acid;ethene
CID 172797220
acetic acid
CID 158444727
acetic acid;carbon dioxide;ethane;methane
CID 159582248
propa-1,2-diene;propan-2-one
CID 159669386
acetic acid;2-methylprop-1-ene
CID 139328555
acetic acid;formaldehyde;hydrate
CID 19350045
ethenone;methanol;methyl acetate
CID 158877266
acetic acid;ethane
CID 173226324
acetic acid;cobalt
CID 54602348
acetic acid;ethane
CID 173070051
acetic acid;nickel(2+)
CID 22169473
acetic acid;tris(yttrium)
CID 59994727

Frequently Asked Questions

What is the IUPAC name of acetic acid;ethenone?
The IUPAC name of acetic acid;ethenone (CID 174780267) is acetic acid;ethenone.
What is the SMILES notation for acetic acid;ethenone?
The canonical SMILES for acetic acid;ethenone is C=C=O.C=C=O.CC(=O)O.
What is the InChIKey of acetic acid;ethenone?
The InChIKey is LDOFAUXWTOCRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2.2C2H2O/c1-2(3)4;2*1-2-3/h1H3,(H,3,4);2*1H2.
What are the key properties of acetic acid;ethenone?
acetic acid;ethenone has a molecular weight of 144.13 g/mol, XLogP of 0.10, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;ethenone is sourced from PubChem (CID 174780267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).