carbon monoxide;formic acid;methane;hydrate

C3H8O4 — CID 158579827

IUPACcarbon monoxide;formic acid;methane;hydrate
SMILESC.O.O=CO.[C-]#[O+]
InChIInChI=1S/CH2O2.CO.CH4.H2O/c2-1-3;1-2;;/h1H,(H,2,3);;1H4;1H2
InChIKeyFWUGYVCSQYRGBV-UHFFFAOYSA-N
MW108.09 g/mol
LogP-0.53
Rot. Bonds

About carbon monoxide;formic acid;methane;hydrate

carbon monoxide;formic acid;methane;hydrate (PubChem CID 158579827) has the molecular formula C3H8O4 and a molecular weight of 108.09 g/mol. Its IUPAC name is carbon monoxide;formic acid;methane;hydrate.

Molecular Properties

Compound Namecarbon monoxide;formic acid;methane;hydrate
PubChem CID158579827
Molecular FormulaC3H8O4
Molecular Weight108.09 g/mol
Exact Mass108.04
IUPAC Namecarbon monoxide;formic acid;methane;hydrate
SMILESC.O.O=CO.[C-]#[O+]
InChIInChI=1S/CH2O2.CO.CH4.H2O/c2-1-3;1-2;;/h1H,(H,2,3);;1H4;1H2
InChIKeyFWUGYVCSQYRGBV-UHFFFAOYSA-N
XLogP-0.53
TPSA88.70 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.09
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;formic acid;methane;hydrate?
The IUPAC name of carbon monoxide;formic acid;methane;hydrate (CID 158579827) is carbon monoxide;formic acid;methane;hydrate.
What is the SMILES notation for carbon monoxide;formic acid;methane;hydrate?
The canonical SMILES for carbon monoxide;formic acid;methane;hydrate is C.O.O=CO.[C-]#[O+].
What is the InChIKey of carbon monoxide;formic acid;methane;hydrate?
The InChIKey is FWUGYVCSQYRGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2O2.CO.CH4.H2O/c2-1-3;1-2;;/h1H,(H,2,3);;1H4;1H2.
What are the key properties of carbon monoxide;formic acid;methane;hydrate?
carbon monoxide;formic acid;methane;hydrate has a molecular weight of 108.09 g/mol, XLogP of -0.53, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;formic acid;methane;hydrate is sourced from PubChem (CID 158579827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).