4-acetyl(11C)benzoic acid

C9H8O3 — CID 11205952

IUPAC4-acetyl(11C)benzoic acid
SMILESC[11C](=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C9H8O3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-5H,1H3,(H,11,12)/i6-1
InChIKeyQBHDSQZASIBAAI-KWCOIAHCSA-N
MW163.16 g/mol
LogP1.59
Rot. Bonds2

About 4-acetyl(11C)benzoic acid

4-acetyl(11C)benzoic acid (PubChem CID 11205952) has the molecular formula C9H8O3 and a molecular weight of 163.16 g/mol. Its IUPAC name is 4-acetyl(11C)benzoic acid.

Molecular Properties

Compound Name4-acetyl(11C)benzoic acid
PubChem CID11205952
Molecular FormulaC9H8O3
Molecular Weight163.16 g/mol
Exact Mass163.06
IUPAC Name4-acetyl(11C)benzoic acid
SMILESC[11C](=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C9H8O3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-5H,1H3,(H,11,12)/i6-1
InChIKeyQBHDSQZASIBAAI-KWCOIAHCSA-N
XLogP1.59
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.16
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-acetylbenzoic acid;1-(4-acetylphenyl)ethanone;sulfuric acid
CID 167614244
acetic acid;cobalt;manganese;terephthalic acid
CID 174955175
acetic acid;terephthalic acid
CID 158530154
4-(4-acetylphenoxy)benzoic acid
CID 60723234
1-(4-acetylphenyl)ethanone;methane
CID 159515104
terephthalic acid
CID 160582437
terephthalic acid;dihydrofluoride
CID 70485309
chromium;terephthalic acid
CID 87187082
bismuthane;terephthalic acid
CID 173299583
4-(N-methylanilino)benzoic acid;1-[4-(N-methylanilino)phenyl]ethanone
CID 159806188
1-(cyclotetradecaheptaenyl)ethanone
CID 90871438
acetic acid;1-(4-sulfanylphenyl)ethanone
CID 21280613

Frequently Asked Questions

What is the IUPAC name of 4-acetyl(11C)benzoic acid?
The IUPAC name of 4-acetyl(11C)benzoic acid (CID 11205952) is 4-acetyl(11C)benzoic acid.
What is the SMILES notation for 4-acetyl(11C)benzoic acid?
The canonical SMILES for 4-acetyl(11C)benzoic acid is C[11C](=O)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-acetyl(11C)benzoic acid?
The InChIKey is QBHDSQZASIBAAI-KWCOIAHCSA-N. The full InChI is InChI=1S/C9H8O3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-5H,1H3,(H,11,12)/i6-1.
What are the key properties of 4-acetyl(11C)benzoic acid?
4-acetyl(11C)benzoic acid has a molecular weight of 163.16 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl(11C)benzoic acid is sourced from PubChem (CID 11205952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).