CID 161295882

C3H4InO3 — CID 161295882

IUPAC—
SMILESC1=COOOC1.[In]
InChIInChI=1S/C3H4O3.In/c1-2-4-6-5-3-1;/h1-2H,3H2;
InChIKeyVGYRTEDGRFUDAR-UHFFFAOYSA-N
MW202.88 g/mol
LogP0.01
Rot. Bonds

About CID 161295882

CID 161295882 (PubChem CID 161295882) has the molecular formula C3H4InO3 and a molecular weight of 202.88 g/mol.

Molecular Properties

Compound NameCID 161295882
PubChem CID161295882
Molecular FormulaC3H4InO3
Molecular Weight202.88 g/mol
Exact Mass202.92
IUPAC Name—
SMILESC1=COOOC1.[In]
InChIInChI=1S/C3H4O3.In/c1-2-4-6-5-3-1;/h1-2H,3H2;
InChIKeyVGYRTEDGRFUDAR-UHFFFAOYSA-N
XLogP0.01
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.88
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 161295882?
The IUPAC name of CID 161295882 (CID 161295882) is not available.
What is the SMILES notation for CID 161295882?
The canonical SMILES for CID 161295882 is C1=COOOC1.[In].
What is the InChIKey of CID 161295882?
The InChIKey is VGYRTEDGRFUDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O3.In/c1-2-4-6-5-3-1;/h1-2H,3H2;.
What are the key properties of CID 161295882?
CID 161295882 has a molecular weight of 202.88 g/mol, XLogP of 0.01, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 161295882 is sourced from PubChem (CID 161295882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).