bismuthane;terephthalic acid

C8H9BiO4 — CID 173299583

IUPACbismuthane;terephthalic acid
SMILESO=C(O)c1ccc(C(=O)O)cc1.[BiH3]
InChIInChI=1S/C8H6O4.Bi.3H/c9-7(10)5-1-2-6(4-3-5)8(11)12;;;;/h1-4H,(H,9,10)(H,11,12);;;;
InChIKeyIFBAIFRXCCJQHJ-UHFFFAOYSA-N
MW378.14 g/mol
LogP-0.10
Rot. Bonds2

About bismuthane;terephthalic acid

bismuthane;terephthalic acid (PubChem CID 173299583) has the molecular formula C8H9BiO4 and a molecular weight of 378.14 g/mol. Its IUPAC name is bismuthane;terephthalic acid.

Molecular Properties

Compound Namebismuthane;terephthalic acid
PubChem CID173299583
Molecular FormulaC8H9BiO4
Molecular Weight378.14 g/mol
Exact Mass378.03
IUPAC Namebismuthane;terephthalic acid
SMILESO=C(O)c1ccc(C(=O)O)cc1.[BiH3]
InChIInChI=1S/C8H6O4.Bi.3H/c9-7(10)5-1-2-6(4-3-5)8(11)12;;;;/h1-4H,(H,9,10)(H,11,12);;;;
InChIKeyIFBAIFRXCCJQHJ-UHFFFAOYSA-N
XLogP-0.10
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.14
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

terephthalic acid
CID 160582437
chromium;terephthalic acid
CID 87187082
terephthalic acid;dihydrofluoride
CID 70485309
ethene;terephthalic acid
CID 18755810
oxophosphane;terephthalic acid
CID 175391404
potassium;terephthalic acid;hydroxide
CID 157415014
silver;terephthalic acid;zinc
CID 88512761
zinc;oxygen(2-);terephthalic acid
CID 68542267
cobalt;nickel;terephthalic acid
CID 175016500
lithium;copper;hydride;terephthalic acid
CID 175298386
acetic acid;terephthalic acid
CID 158530154
bromoruthenium;terephthalic acid
CID 87470713

Frequently Asked Questions

What is the IUPAC name of bismuthane;terephthalic acid?
The IUPAC name of bismuthane;terephthalic acid (CID 173299583) is bismuthane;terephthalic acid.
What is the SMILES notation for bismuthane;terephthalic acid?
The canonical SMILES for bismuthane;terephthalic acid is O=C(O)c1ccc(C(=O)O)cc1.[BiH3].
What is the InChIKey of bismuthane;terephthalic acid?
The InChIKey is IFBAIFRXCCJQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O4.Bi.3H/c9-7(10)5-1-2-6(4-3-5)8(11)12;;;;/h1-4H,(H,9,10)(H,11,12);;;;.
What are the key properties of bismuthane;terephthalic acid?
bismuthane;terephthalic acid has a molecular weight of 378.14 g/mol, XLogP of -0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bismuthane;terephthalic acid is sourced from PubChem (CID 173299583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).