acetic acid;terephthalic acid

C14H18O10 — CID 158530154

IUPACacetic acid;terephthalic acid
SMILESCC(=O)O.CC(=O)O.CC(=O)O.O=C(O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C8H6O4.3C2H4O2/c9-7(10)5-1-2-6(4-3-5)8(11)12;3*1-2(3)4/h1-4H,(H,9,10)(H,11,12);3*1H3,(H,3,4)
InChIKeyHNGOPXBXCIWNMX-UHFFFAOYSA-N
MW346.29 g/mol
LogP1.36
Rot. Bonds2

About acetic acid;terephthalic acid

acetic acid;terephthalic acid (PubChem CID 158530154) has the molecular formula C14H18O10 and a molecular weight of 346.29 g/mol. Its IUPAC name is acetic acid;terephthalic acid.

Molecular Properties

Compound Nameacetic acid;terephthalic acid
PubChem CID158530154
Molecular FormulaC14H18O10
Molecular Weight346.29 g/mol
Exact Mass346.09
IUPAC Nameacetic acid;terephthalic acid
SMILESCC(=O)O.CC(=O)O.CC(=O)O.O=C(O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C8H6O4.3C2H4O2/c9-7(10)5-1-2-6(4-3-5)8(11)12;3*1-2(3)4/h1-4H,(H,9,10)(H,11,12);3*1H3,(H,3,4)
InChIKeyHNGOPXBXCIWNMX-UHFFFAOYSA-N
XLogP1.36
TPSA186.50 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.29
LogP ≤ 51.36
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

acetic acid;cobalt;manganese;terephthalic acid
CID 174955175
terephthalic acid
CID 160582437
acetic acid;4-methylbenzoic acid
CID 68925030
4-acetyl(11C)benzoic acid
CID 11205952
chromium;terephthalic acid
CID 87187082
terephthalic acid;dihydrofluoride
CID 70485309
bismuthane;terephthalic acid
CID 173299583
potassium;terephthalic acid;hydroxide
CID 157415014
zinc;oxygen(2-);terephthalic acid
CID 68542267
silver;terephthalic acid;zinc
CID 88512761
oxophosphane;terephthalic acid
CID 175391404
ethene;terephthalic acid
CID 18755810

Frequently Asked Questions

What is the IUPAC name of acetic acid;terephthalic acid?
The IUPAC name of acetic acid;terephthalic acid (CID 158530154) is acetic acid;terephthalic acid.
What is the SMILES notation for acetic acid;terephthalic acid?
The canonical SMILES for acetic acid;terephthalic acid is CC(=O)O.CC(=O)O.CC(=O)O.O=C(O)c1ccc(C(=O)O)cc1.
What is the InChIKey of acetic acid;terephthalic acid?
The InChIKey is HNGOPXBXCIWNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O4.3C2H4O2/c9-7(10)5-1-2-6(4-3-5)8(11)12;3*1-2(3)4/h1-4H,(H,9,10)(H,11,12);3*1H3,(H,3,4).
What are the key properties of acetic acid;terephthalic acid?
acetic acid;terephthalic acid has a molecular weight of 346.29 g/mol, XLogP of 1.36, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;terephthalic acid is sourced from PubChem (CID 158530154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).