formaldehyde;oxaldehyde

C3H4O3 — CID 19033815

IUPACformaldehyde;oxaldehyde
SMILESC=O.O=CC=O
InChIInChI=1S/C2H2O2.CH2O/c3-1-2-4;1-2/h1-2H;1H2
InChIKeyWGYSTMQJSAGQIN-UHFFFAOYSA-N
MW88.06 g/mol
LogP-0.80
Rot. Bonds1

About formaldehyde;oxaldehyde

formaldehyde;oxaldehyde (PubChem CID 19033815) has the molecular formula C3H4O3 and a molecular weight of 88.06 g/mol. Its IUPAC name is formaldehyde;oxaldehyde.

Molecular Properties

Compound Nameformaldehyde;oxaldehyde
PubChem CID19033815
Molecular FormulaC3H4O3
Molecular Weight88.06 g/mol
Exact Mass88.02
IUPAC Nameformaldehyde;oxaldehyde
SMILESC=O.O=CC=O
InChIInChI=1S/C2H2O2.CH2O/c3-1-2-4;1-2/h1-2H;1H2
InChIKeyWGYSTMQJSAGQIN-UHFFFAOYSA-N
XLogP-0.80
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.06
LogP ≤ 5-0.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Acetaldehyde
CID 177
Glyoxal
CID 7860
Acetaldehyde, mercuridi-(6CI,7CI)
CID 20412
(2H4)Acetaldehyde
CID 123124
Acetaldehyde-2,2,2-d3
CID 140625
Acetaldehyde-13C2
CID 10942333
Formaldehyde acetaldehyde
CID 162218
Acetaldehyde-1-d
CID 123208
Deuteroacetaldehyde
CID 11434906
d2-Acetaldehyde
CID 12198040
CID 12198043
CID 12198043
Di-deuteroglyoxal
CID 12215931

Frequently Asked Questions

What is the IUPAC name of formaldehyde;oxaldehyde?
The IUPAC name of formaldehyde;oxaldehyde (CID 19033815) is formaldehyde;oxaldehyde.
What is the SMILES notation for formaldehyde;oxaldehyde?
The canonical SMILES for formaldehyde;oxaldehyde is C=O.O=CC=O.
What is the InChIKey of formaldehyde;oxaldehyde?
The InChIKey is WGYSTMQJSAGQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2O2.CH2O/c3-1-2-4;1-2/h1-2H;1H2.
What are the key properties of formaldehyde;oxaldehyde?
formaldehyde;oxaldehyde has a molecular weight of 88.06 g/mol, XLogP of -0.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;oxaldehyde is sourced from PubChem (CID 19033815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).