3-hydroxybenzene-1,2,4-tricarbaldehyde

C9H6O4 — CID 170942140

IUPAC3-hydroxybenzene-1,2,4-tricarbaldehyde
SMILESO=Cc1ccc(C=O)c(C=O)c1O
InChIInChI=1S/C9H6O4/c10-3-6-1-2-7(4-11)9(13)8(6)5-12/h1-5,13H
InChIKeyJHKAYRKFKFISQY-UHFFFAOYSA-N
MW178.14 g/mol
LogP0.83
Rot. Bonds3

About 3-hydroxybenzene-1,2,4-tricarbaldehyde

3-hydroxybenzene-1,2,4-tricarbaldehyde (PubChem CID 170942140) has the molecular formula C9H6O4 and a molecular weight of 178.14 g/mol. Its IUPAC name is 3-hydroxybenzene-1,2,4-tricarbaldehyde.

Molecular Properties

Compound Name3-hydroxybenzene-1,2,4-tricarbaldehyde
PubChem CID170942140
Molecular FormulaC9H6O4
Molecular Weight178.14 g/mol
Exact Mass178.03
IUPAC Name3-hydroxybenzene-1,2,4-tricarbaldehyde
SMILESO=Cc1ccc(C=O)c(C=O)c1O
InChIInChI=1S/C9H6O4/c10-3-6-1-2-7(4-11)9(13)8(6)5-12/h1-5,13H
InChIKeyJHKAYRKFKFISQY-UHFFFAOYSA-N
XLogP0.83
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.14
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxybenzene-1,2,4-tricarbaldehyde?
The IUPAC name of 3-hydroxybenzene-1,2,4-tricarbaldehyde (CID 170942140) is 3-hydroxybenzene-1,2,4-tricarbaldehyde.
What is the SMILES notation for 3-hydroxybenzene-1,2,4-tricarbaldehyde?
The canonical SMILES for 3-hydroxybenzene-1,2,4-tricarbaldehyde is O=Cc1ccc(C=O)c(C=O)c1O.
What is the InChIKey of 3-hydroxybenzene-1,2,4-tricarbaldehyde?
The InChIKey is JHKAYRKFKFISQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6O4/c10-3-6-1-2-7(4-11)9(13)8(6)5-12/h1-5,13H.
What are the key properties of 3-hydroxybenzene-1,2,4-tricarbaldehyde?
3-hydroxybenzene-1,2,4-tricarbaldehyde has a molecular weight of 178.14 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxybenzene-1,2,4-tricarbaldehyde is sourced from PubChem (CID 170942140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).