4-(2-carboxybenzoyl)benzene-1,3-dicarboxylic acid

C16H10O7 — CID 143439046

IUPAC4-(2-carboxybenzoyl)benzene-1,3-dicarboxylic acid
SMILESO=C(O)c1ccc(C(=O)c2ccccc2C(=O)O)c(C(=O)O)c1
InChIInChI=1S/C16H10O7/c17-13(9-3-1-2-4-11(9)15(20)21)10-6-5-8(14(18)19)7-12(10)16(22)23/h1-7H,(H,18,19)(H,20,21)(H,22,23)
InChIKeyGOKJEABZJXAKDF-UHFFFAOYSA-N
MW314.25 g/mol
LogP2.01
Rot. Bonds5

About 4-(2-carboxybenzoyl)benzene-1,3-dicarboxylic acid

4-(2-carboxybenzoyl)benzene-1,3-dicarboxylic acid (PubChem CID 143439046) has the molecular formula C16H10O7 and a molecular weight of 314.25 g/mol. Its IUPAC name is 4-(2-carboxybenzoyl)benzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name4-(2-carboxybenzoyl)benzene-1,3-dicarboxylic acid
PubChem CID143439046
Molecular FormulaC16H10O7
Molecular Weight314.25 g/mol
Exact Mass314.04
IUPAC Name4-(2-carboxybenzoyl)benzene-1,3-dicarboxylic acid
SMILESO=C(O)c1ccc(C(=O)c2ccccc2C(=O)O)c(C(=O)O)c1
InChIInChI=1S/C16H10O7/c17-13(9-3-1-2-4-11(9)15(20)21)10-6-5-8(14(18)19)7-12(10)16(22)23/h1-7H,(H,18,19)(H,20,21)(H,22,23)
InChIKeyGOKJEABZJXAKDF-UHFFFAOYSA-N
XLogP2.01
TPSA128.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.25
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

benzene-1,2,4-tricarboxylic acid;3-(2,3-dicarboxybenzoyl)phthalic acid
CID 166709208
benzene-1,2,4-tricarboxylic acid;dihydrate
CID 70292833
2-(2-aminobenzoyl)terephthalic acid
CID 139660056
4-(2-acetylbenzoyl)phthalic acid
CID 71123619
benzene-1,2,4,5-tetracarboxylic acid;phthalic acid
CID 174433443
benzene-1,2,4-tricarboxylic acid;bis(ethane-1,2-diol)
CID 19102454
4-methylbenzene-1,3-dicarboxylic acid;phthalic acid
CID 162069170
4-(2-methylbenzoyl)phthalic acid
CID 22362607
4-(4-chlorobenzoyl)benzene-1,3-dicarboxylic acid
CID 587323
4-benzoylphthalic acid;bis(carbon dioxide)
CID 159894307
2-[3-(2-carboxybenzoyl)benzoyl]benzoic acid
CID 153325075
4-(phenylcarbamoyl)benzene-1,3-dicarboxylic acid
CID 21240166

Frequently Asked Questions

What is the IUPAC name of 4-(2-carboxybenzoyl)benzene-1,3-dicarboxylic acid?
The IUPAC name of 4-(2-carboxybenzoyl)benzene-1,3-dicarboxylic acid (CID 143439046) is 4-(2-carboxybenzoyl)benzene-1,3-dicarboxylic acid.
What is the SMILES notation for 4-(2-carboxybenzoyl)benzene-1,3-dicarboxylic acid?
The canonical SMILES for 4-(2-carboxybenzoyl)benzene-1,3-dicarboxylic acid is O=C(O)c1ccc(C(=O)c2ccccc2C(=O)O)c(C(=O)O)c1.
What is the InChIKey of 4-(2-carboxybenzoyl)benzene-1,3-dicarboxylic acid?
The InChIKey is GOKJEABZJXAKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10O7/c17-13(9-3-1-2-4-11(9)15(20)21)10-6-5-8(14(18)19)7-12(10)16(22)23/h1-7H,(H,18,19)(H,20,21)(H,22,23).
What are the key properties of 4-(2-carboxybenzoyl)benzene-1,3-dicarboxylic acid?
4-(2-carboxybenzoyl)benzene-1,3-dicarboxylic acid has a molecular weight of 314.25 g/mol, XLogP of 2.01, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-carboxybenzoyl)benzene-1,3-dicarboxylic acid is sourced from PubChem (CID 143439046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).