barium(2+);hydride;phthalic acid

C8H8BaO4 — CID 173000011

IUPACbarium(2+);hydride;phthalic acid
SMILESO=C(O)c1ccccc1C(=O)O.[Ba+2].[H-].[H-]
InChIInChI=1S/C8H6O4.Ba.2H/c9-7(10)5-3-1-2-4-6(5)8(11)12;;;/h1-4H,(H,9,10)(H,11,12);;;/q;+2;2*-1
InChIKeyXMJXHGWHIXTMMD-UHFFFAOYSA-N
MW305.48 g/mol
LogP0.93
Rot. Bonds2

About barium(2+);hydride;phthalic acid

barium(2+);hydride;phthalic acid (PubChem CID 173000011) has the molecular formula C8H8BaO4 and a molecular weight of 305.48 g/mol. Its IUPAC name is barium(2+);hydride;phthalic acid.

Molecular Properties

Compound Namebarium(2+);hydride;phthalic acid
PubChem CID173000011
Molecular FormulaC8H8BaO4
Molecular Weight305.48 g/mol
Exact Mass305.95
IUPAC Namebarium(2+);hydride;phthalic acid
SMILESO=C(O)c1ccccc1C(=O)O.[Ba+2].[H-].[H-]
InChIInChI=1S/C8H6O4.Ba.2H/c9-7(10)5-3-1-2-4-6(5)8(11)12;;;/h1-4H,(H,9,10)(H,11,12);;;/q;+2;2*-1
InChIKeyXMJXHGWHIXTMMD-UHFFFAOYSA-N
XLogP0.93
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.48
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of barium(2+);hydride;phthalic acid?
The IUPAC name of barium(2+);hydride;phthalic acid (CID 173000011) is barium(2+);hydride;phthalic acid.
What is the SMILES notation for barium(2+);hydride;phthalic acid?
The canonical SMILES for barium(2+);hydride;phthalic acid is O=C(O)c1ccccc1C(=O)O.[Ba+2].[H-].[H-].
What is the InChIKey of barium(2+);hydride;phthalic acid?
The InChIKey is XMJXHGWHIXTMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O4.Ba.2H/c9-7(10)5-3-1-2-4-6(5)8(11)12;;;/h1-4H,(H,9,10)(H,11,12);;;/q;+2;2*-1.
What are the key properties of barium(2+);hydride;phthalic acid?
barium(2+);hydride;phthalic acid has a molecular weight of 305.48 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);hydride;phthalic acid is sourced from PubChem (CID 173000011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).