2-hydroxybenzene-1,3,5-tricarboxylic acid

C9H6O7 — CID 23424032

IUPAC2-hydroxybenzene-1,3,5-tricarboxylic acid
SMILESO=C(O)c1cc(C(=O)O)c(O)c(C(=O)O)c1
InChIInChI=1S/C9H6O7/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-2,10H,(H,11,12)(H,13,14)(H,15,16)
InChIKeyAYARGAAVUXXAON-UHFFFAOYSA-N
MW226.14 g/mol
LogP0.49
Rot. Bonds3

About 2-hydroxybenzene-1,3,5-tricarboxylic acid

2-hydroxybenzene-1,3,5-tricarboxylic acid (PubChem CID 23424032) has the molecular formula C9H6O7 and a molecular weight of 226.14 g/mol. Its IUPAC name is 2-hydroxybenzene-1,3,5-tricarboxylic acid.

Molecular Properties

Compound Name2-hydroxybenzene-1,3,5-tricarboxylic acid
PubChem CID23424032
Molecular FormulaC9H6O7
Molecular Weight226.14 g/mol
Exact Mass226.01
IUPAC Name2-hydroxybenzene-1,3,5-tricarboxylic acid
SMILESO=C(O)c1cc(C(=O)O)c(O)c(C(=O)O)c1
InChIInChI=1S/C9H6O7/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-2,10H,(H,11,12)(H,13,14)(H,15,16)
InChIKeyAYARGAAVUXXAON-UHFFFAOYSA-N
XLogP0.49
TPSA132.13 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.14
LogP ≤ 50.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-Hydroxybenzoic Acid
CID 135
Salicylic Acid
CID 338
Phloretin
CID 4788
Sodium Salicylate
CID 16760658
2,4,6-Trihydroxybenzoic acid
CID 66520
2,2',4,4'-Tetrahydroxybenzophenone
CID 8571
Salicylate
CID 54675850
3-Methylsalicylic Acid
CID 6738
2,4-Dihydroxybenzoic Acid
CID 1491
Isoliquiritigenin
CID 638278
2,4-Dihydroxybenzophenone
CID 8572
2',4,4',6'-Tetrahydroxychalcone
CID 5280960

Frequently Asked Questions

What is the IUPAC name of 2-hydroxybenzene-1,3,5-tricarboxylic acid?
The IUPAC name of 2-hydroxybenzene-1,3,5-tricarboxylic acid (CID 23424032) is 2-hydroxybenzene-1,3,5-tricarboxylic acid.
What is the SMILES notation for 2-hydroxybenzene-1,3,5-tricarboxylic acid?
The canonical SMILES for 2-hydroxybenzene-1,3,5-tricarboxylic acid is O=C(O)c1cc(C(=O)O)c(O)c(C(=O)O)c1.
What is the InChIKey of 2-hydroxybenzene-1,3,5-tricarboxylic acid?
The InChIKey is AYARGAAVUXXAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6O7/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-2,10H,(H,11,12)(H,13,14)(H,15,16).
What are the key properties of 2-hydroxybenzene-1,3,5-tricarboxylic acid?
2-hydroxybenzene-1,3,5-tricarboxylic acid has a molecular weight of 226.14 g/mol, XLogP of 0.49, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybenzene-1,3,5-tricarboxylic acid is sourced from PubChem (CID 23424032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).