oxophosphane;terephthalic acid

C8H7O5P — CID 175391404

IUPACoxophosphane;terephthalic acid
SMILESO=C(O)c1ccc(C(=O)O)cc1.O=P
InChIInChI=1S/C8H6O4.HOP/c9-7(10)5-1-2-6(4-3-5)8(11)12;1-2/h1-4H,(H,9,10)(H,11,12);2H
InChIKeyFFAMWSJQILOALJ-UHFFFAOYSA-N
MW214.11 g/mol
LogP1.56
Rot. Bonds2

About oxophosphane;terephthalic acid

oxophosphane;terephthalic acid (PubChem CID 175391404) has the molecular formula C8H7O5P and a molecular weight of 214.11 g/mol. Its IUPAC name is oxophosphane;terephthalic acid.

Molecular Properties

Compound Nameoxophosphane;terephthalic acid
PubChem CID175391404
Molecular FormulaC8H7O5P
Molecular Weight214.11 g/mol
Exact Mass214.00
IUPAC Nameoxophosphane;terephthalic acid
SMILESO=C(O)c1ccc(C(=O)O)cc1.O=P
InChIInChI=1S/C8H6O4.HOP/c9-7(10)5-1-2-6(4-3-5)8(11)12;1-2/h1-4H,(H,9,10)(H,11,12);2H
InChIKeyFFAMWSJQILOALJ-UHFFFAOYSA-N
XLogP1.56
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.11
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

terephthalic acid
CID 160582437
chromium;terephthalic acid
CID 87187082
bismuthane;terephthalic acid
CID 173299583
terephthalic acid;dihydrofluoride
CID 70485309
ethene;terephthalic acid
CID 18755810
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 oxophosphane;terephthalic acid?
The IUPAC name of oxophosphane;terephthalic acid (CID 175391404) is oxophosphane;terephthalic acid.
What is the SMILES notation for oxophosphane;terephthalic acid?
The canonical SMILES for oxophosphane;terephthalic acid is O=C(O)c1ccc(C(=O)O)cc1.O=P.
What is the InChIKey of oxophosphane;terephthalic acid?
The InChIKey is FFAMWSJQILOALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O4.HOP/c9-7(10)5-1-2-6(4-3-5)8(11)12;1-2/h1-4H,(H,9,10)(H,11,12);2H.
What are the key properties of oxophosphane;terephthalic acid?
oxophosphane;terephthalic acid has a molecular weight of 214.11 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxophosphane;terephthalic acid is sourced from PubChem (CID 175391404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).