acetaldehyde;formaldehyde;formic acid

C4H8O4 — CID 159516421

IUPACacetaldehyde;formaldehyde;formic acid
SMILESC=O.CC=O.O=CO
InChIInChI=1S/C2H4O.CH2O2.CH2O/c1-2-3;2-1-3;1-2/h2H,1H3;1H,(H,2,3);1H2
InChIKeyMBGGPOLZGHCJLK-UHFFFAOYSA-N
MW120.10 g/mol
LogP-0.28
Rot. Bonds

About acetaldehyde;formaldehyde;formic acid

acetaldehyde;formaldehyde;formic acid (PubChem CID 159516421) has the molecular formula C4H8O4 and a molecular weight of 120.10 g/mol. Its IUPAC name is acetaldehyde;formaldehyde;formic acid.

Molecular Properties

Compound Nameacetaldehyde;formaldehyde;formic acid
PubChem CID159516421
Molecular FormulaC4H8O4
Molecular Weight120.10 g/mol
Exact Mass120.04
IUPAC Nameacetaldehyde;formaldehyde;formic acid
SMILESC=O.CC=O.O=CO
InChIInChI=1S/C2H4O.CH2O2.CH2O/c1-2-3;2-1-3;1-2/h2H,1H3;1H,(H,2,3);1H2
InChIKeyMBGGPOLZGHCJLK-UHFFFAOYSA-N
XLogP-0.28
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.10
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

acetaldehyde;formic acid;methane
CID 175120865
acetaldehyde;formic acid;methanol
CID 160616395
acetaldehyde;formaldehyde
CID 162213164
formaldehyde;formic acid;methane;methanol
CID 172740588
acetaldehyde;carbon dioxide;formic acid;methane
CID 162220737
acetaldehyde;methanol
CID 19366238
hydroxyformaldehyde
CID 11672690
acetaldehyde
CID 158130567
acetaldehyde;formaldehyde;2-methylpropane
CID 157456500
acetaldehyde;prop-1-ene
CID 157049777
formic acid;methylmercury
CID 161039463
formic acid;nickel
CID 57484767

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;formaldehyde;formic acid?
The IUPAC name of acetaldehyde;formaldehyde;formic acid (CID 159516421) is acetaldehyde;formaldehyde;formic acid.
What is the SMILES notation for acetaldehyde;formaldehyde;formic acid?
The canonical SMILES for acetaldehyde;formaldehyde;formic acid is C=O.CC=O.O=CO.
What is the InChIKey of acetaldehyde;formaldehyde;formic acid?
The InChIKey is MBGGPOLZGHCJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O.CH2O2.CH2O/c1-2-3;2-1-3;1-2/h2H,1H3;1H,(H,2,3);1H2.
What are the key properties of acetaldehyde;formaldehyde;formic acid?
acetaldehyde;formaldehyde;formic acid has a molecular weight of 120.10 g/mol, XLogP of -0.28, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;formaldehyde;formic acid is sourced from PubChem (CID 159516421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).