chromium;terephthalic acid

C8H6CrO4 — CID 87187082

IUPACchromium;terephthalic acid
SMILESO=C(O)c1ccc(C(=O)O)cc1.[Cr]
InChIInChI=1S/C8H6O4.Cr/c9-7(10)5-1-2-6(4-3-5)8(11)12;/h1-4H,(H,9,10)(H,11,12);
InChIKeyUXZUOIUTFLXRQS-UHFFFAOYSA-N
MW218.13 g/mol
LogP1.08
Rot. Bonds2

About chromium;terephthalic acid

chromium;terephthalic acid (PubChem CID 87187082) has the molecular formula C8H6CrO4 and a molecular weight of 218.13 g/mol. Its IUPAC name is chromium;terephthalic acid.

Molecular Properties

Compound Namechromium;terephthalic acid
PubChem CID87187082
Molecular FormulaC8H6CrO4
Molecular Weight218.13 g/mol
Exact Mass217.97
IUPAC Namechromium;terephthalic acid
SMILESO=C(O)c1ccc(C(=O)O)cc1.[Cr]
InChIInChI=1S/C8H6O4.Cr/c9-7(10)5-1-2-6(4-3-5)8(11)12;/h1-4H,(H,9,10)(H,11,12);
InChIKeyUXZUOIUTFLXRQS-UHFFFAOYSA-N
XLogP1.08
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.13
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

terephthalic acid
CID 160582437
bismuthane;terephthalic acid
CID 173299583
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 chromium;terephthalic acid?
The IUPAC name of chromium;terephthalic acid (CID 87187082) is chromium;terephthalic acid.
What is the SMILES notation for chromium;terephthalic acid?
The canonical SMILES for chromium;terephthalic acid is O=C(O)c1ccc(C(=O)O)cc1.[Cr].
What is the InChIKey of chromium;terephthalic acid?
The InChIKey is UXZUOIUTFLXRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O4.Cr/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 chromium;terephthalic acid?
chromium;terephthalic acid has a molecular weight of 218.13 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chromium;terephthalic acid is sourced from PubChem (CID 87187082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).