CID 159366732

C2H6O3 — CID 159366732

IUPAC—
SMILESC=C.OOO
InChIInChI=1S/C2H4.H2O3/c1-2;1-3-2/h1-2H2;1-2H
InChIKeyLJFLKHGUJXEDJD-UHFFFAOYSA-N
MW78.07 g/mol
LogP0.75
Rot. Bonds

About CID 159366732

CID 159366732 (PubChem CID 159366732) has the molecular formula C2H6O3 and a molecular weight of 78.07 g/mol.

Molecular Properties

Compound NameCID 159366732
PubChem CID159366732
Molecular FormulaC2H6O3
Molecular Weight78.07 g/mol
Exact Mass78.03
IUPAC Name—
SMILESC=C.OOO
InChIInChI=1S/C2H4.H2O3/c1-2;1-3-2/h1-2H2;1-2H
InChIKeyLJFLKHGUJXEDJD-UHFFFAOYSA-N
XLogP0.75
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50078.07
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 159366732?
The IUPAC name of CID 159366732 (CID 159366732) is not available.
What is the SMILES notation for CID 159366732?
The canonical SMILES for CID 159366732 is C=C.OOO.
What is the InChIKey of CID 159366732?
The InChIKey is LJFLKHGUJXEDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4.H2O3/c1-2;1-3-2/h1-2H2;1-2H.
What are the key properties of CID 159366732?
CID 159366732 has a molecular weight of 78.07 g/mol, XLogP of 0.75, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159366732 is sourced from PubChem (CID 159366732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).