barium(2+);bis(2-oxidobenzoate)

C14H8BaO6-2 — CID 59061594

IUPACbarium(2+);bis(2-oxidobenzoate)
SMILESO=C([O-])c1ccccc1[O-].O=C([O-])c1ccccc1[O-].[Ba+2]
InChIInChI=1S/2C7H6O3.Ba/c2*8-6-4-2-1-3-5(6)7(9)10;/h2*1-4,8H,(H,9,10);/q;;+2/p-4
InChIKeyFSVHTWITPYPMHK-UHFFFAOYSA-J
MW409.54 g/mol
LogP-2.13
Rot. Bonds2

About barium(2+);bis(2-oxidobenzoate)

barium(2+);bis(2-oxidobenzoate) (PubChem CID 59061594) has the molecular formula C14H8BaO6-2 and a molecular weight of 409.54 g/mol. Its IUPAC name is barium(2+);bis(2-oxidobenzoate).

Molecular Properties

Compound Namebarium(2+);bis(2-oxidobenzoate)
PubChem CID59061594
Molecular FormulaC14H8BaO6-2
Molecular Weight409.54 g/mol
Exact Mass409.94
IUPAC Namebarium(2+);bis(2-oxidobenzoate)
SMILESO=C([O-])c1ccccc1[O-].O=C([O-])c1ccccc1[O-].[Ba+2]
InChIInChI=1S/2C7H6O3.Ba/c2*8-6-4-2-1-3-5(6)7(9)10;/h2*1-4,8H,(H,9,10);/q;;+2/p-4
InChIKeyFSVHTWITPYPMHK-UHFFFAOYSA-J
XLogP-2.13
TPSA126.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.54
LogP ≤ 5-2.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of barium(2+);bis(2-oxidobenzoate)?
The IUPAC name of barium(2+);bis(2-oxidobenzoate) (CID 59061594) is barium(2+);bis(2-oxidobenzoate).
What is the SMILES notation for barium(2+);bis(2-oxidobenzoate)?
The canonical SMILES for barium(2+);bis(2-oxidobenzoate) is O=C([O-])c1ccccc1[O-].O=C([O-])c1ccccc1[O-].[Ba+2].
What is the InChIKey of barium(2+);bis(2-oxidobenzoate)?
The InChIKey is FSVHTWITPYPMHK-UHFFFAOYSA-J. The full InChI is InChI=1S/2C7H6O3.Ba/c2*8-6-4-2-1-3-5(6)7(9)10;/h2*1-4,8H,(H,9,10);/q;;+2/p-4.
What are the key properties of barium(2+);bis(2-oxidobenzoate)?
barium(2+);bis(2-oxidobenzoate) has a molecular weight of 409.54 g/mol, XLogP of -2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);bis(2-oxidobenzoate) is sourced from PubChem (CID 59061594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).