CID 88684247

C2H4BaO3 — CID 88684247

IUPAC—
SMILESO=C(O)CO.[Ba]
InChIInChI=1S/C2H4O3.Ba/c3-1-2(4)5;/h3H,1H2,(H,4,5);
InChIKeyJRIJWWITLFRMOM-UHFFFAOYSA-N
MW213.38 g/mol
LogP-1.32
Rot. Bonds1

About CID 88684247

CID 88684247 (PubChem CID 88684247) has the molecular formula C2H4BaO3 and a molecular weight of 213.38 g/mol.

Molecular Properties

Compound NameCID 88684247
PubChem CID88684247
Molecular FormulaC2H4BaO3
Molecular Weight213.38 g/mol
Exact Mass213.92
IUPAC Name—
SMILESO=C(O)CO.[Ba]
InChIInChI=1S/C2H4O3.Ba/c3-1-2(4)5;/h3H,1H2,(H,4,5);
InChIKeyJRIJWWITLFRMOM-UHFFFAOYSA-N
XLogP-1.32
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.38
LogP ≤ 5-1.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 88684247?
The IUPAC name of CID 88684247 (CID 88684247) is not available.
What is the SMILES notation for CID 88684247?
The canonical SMILES for CID 88684247 is O=C(O)CO.[Ba].
What is the InChIKey of CID 88684247?
The InChIKey is JRIJWWITLFRMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O3.Ba/c3-1-2(4)5;/h3H,1H2,(H,4,5);.
What are the key properties of CID 88684247?
CID 88684247 has a molecular weight of 213.38 g/mol, XLogP of -1.32, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88684247 is sourced from PubChem (CID 88684247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).