CID 87066971

C3H6O2Sb — CID 87066971

IUPAC—
SMILESCCC(=O)O.[Sb]
InChIInChI=1S/C3H6O2.Sb/c1-2-3(4)5;/h2H2,1H3,(H,4,5);
InChIKeyAHOOZWWGFUVJRQ-UHFFFAOYSA-N
MW195.84 g/mol
LogP0.10
Rot. Bonds1

About CID 87066971

CID 87066971 (PubChem CID 87066971) has the molecular formula C3H6O2Sb and a molecular weight of 195.84 g/mol.

Molecular Properties

Compound NameCID 87066971
PubChem CID87066971
Molecular FormulaC3H6O2Sb
Molecular Weight195.84 g/mol
Exact Mass194.94
IUPAC Name—
SMILESCCC(=O)O.[Sb]
InChIInChI=1S/C3H6O2.Sb/c1-2-3(4)5;/h2H2,1H3,(H,4,5);
InChIKeyAHOOZWWGFUVJRQ-UHFFFAOYSA-N
XLogP0.10
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.84
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 87066971?
The IUPAC name of CID 87066971 (CID 87066971) is not available.
What is the SMILES notation for CID 87066971?
The canonical SMILES for CID 87066971 is CCC(=O)O.[Sb].
What is the InChIKey of CID 87066971?
The InChIKey is AHOOZWWGFUVJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O2.Sb/c1-2-3(4)5;/h2H2,1H3,(H,4,5);.
What are the key properties of CID 87066971?
CID 87066971 has a molecular weight of 195.84 g/mol, XLogP of 0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87066971 is sourced from PubChem (CID 87066971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).