propanoic acid;terephthalic acid

C11H12O6 — CID 158352815

IUPACpropanoic acid;terephthalic acid
SMILESCCC(=O)O.O=C(O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C8H6O4.C3H6O2/c9-7(10)5-1-2-6(4-3-5)8(11)12;1-2-3(4)5/h1-4H,(H,9,10)(H,11,12);2H2,1H3,(H,4,5)
InChIKeyGSNGHKZWNZOIBN-UHFFFAOYSA-N
MW240.21 g/mol
LogP1.56
Rot. Bonds3

About propanoic acid;terephthalic acid

propanoic acid;terephthalic acid (PubChem CID 158352815) has the molecular formula C11H12O6 and a molecular weight of 240.21 g/mol. Its IUPAC name is propanoic acid;terephthalic acid.

Molecular Properties

Compound Namepropanoic acid;terephthalic acid
PubChem CID158352815
Molecular FormulaC11H12O6
Molecular Weight240.21 g/mol
Exact Mass240.06
IUPAC Namepropanoic acid;terephthalic acid
SMILESCCC(=O)O.O=C(O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C8H6O4.C3H6O2/c9-7(10)5-1-2-6(4-3-5)8(11)12;1-2-3(4)5/h1-4H,(H,9,10)(H,11,12);2H2,1H3,(H,4,5)
InChIKeyGSNGHKZWNZOIBN-UHFFFAOYSA-N
XLogP1.56
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

calcium;sodium;benzoic acid;hydride;propanoic acid
CID 174936920
acetic acid;benzoic acid;propanoic acid;hydrochloride
CID 70477052
terephthalic acid
CID 160582437
4-but-1-en-2-ylbenzoic acid
CID 69283936
acetic acid;terephthalic acid
CID 158530154
chromium;terephthalic acid
CID 87187082
bismuthane;terephthalic acid
CID 173299583
terephthalic acid;dihydrofluoride
CID 70485309
4-[(E)-1-carboxybut-1-en-2-yl]benzoic acid
CID 83959454
ethene;terephthalic acid
CID 18755810
oxophosphane;terephthalic acid
CID 175391404
zinc;oxygen(2-);terephthalic acid
CID 68542267

Frequently Asked Questions

What is the IUPAC name of propanoic acid;terephthalic acid?
The IUPAC name of propanoic acid;terephthalic acid (CID 158352815) is propanoic acid;terephthalic acid.
What is the SMILES notation for propanoic acid;terephthalic acid?
The canonical SMILES for propanoic acid;terephthalic acid is CCC(=O)O.O=C(O)c1ccc(C(=O)O)cc1.
What is the InChIKey of propanoic acid;terephthalic acid?
The InChIKey is GSNGHKZWNZOIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O4.C3H6O2/c9-7(10)5-1-2-6(4-3-5)8(11)12;1-2-3(4)5/h1-4H,(H,9,10)(H,11,12);2H2,1H3,(H,4,5).
What are the key properties of propanoic acid;terephthalic acid?
propanoic acid;terephthalic acid has a molecular weight of 240.21 g/mol, XLogP of 1.56, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propanoic acid;terephthalic acid is sourced from PubChem (CID 158352815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).