4,5,6-trihydroxybenzene-1,2,3-tricarbaldehyde

C9H6O6 — CID 156771426

IUPAC4,5,6-trihydroxybenzene-1,2,3-tricarbaldehyde
SMILESO=Cc1c(O)c(O)c(O)c(C=O)c1C=O
InChIInChI=1S/C9H6O6/c10-1-4-5(2-11)7(13)9(15)8(14)6(4)3-12/h1-3,13-15H
InChIKeyANQZVBBNFRKDMX-UHFFFAOYSA-N
MW210.14 g/mol
LogP0.24
Rot. Bonds3

About 4,5,6-trihydroxybenzene-1,2,3-tricarbaldehyde

4,5,6-trihydroxybenzene-1,2,3-tricarbaldehyde (PubChem CID 156771426) has the molecular formula C9H6O6 and a molecular weight of 210.14 g/mol. Its IUPAC name is 4,5,6-trihydroxybenzene-1,2,3-tricarbaldehyde.

Molecular Properties

Compound Name4,5,6-trihydroxybenzene-1,2,3-tricarbaldehyde
PubChem CID156771426
Molecular FormulaC9H6O6
Molecular Weight210.14 g/mol
Exact Mass210.02
IUPAC Name4,5,6-trihydroxybenzene-1,2,3-tricarbaldehyde
SMILESO=Cc1c(O)c(O)c(O)c(C=O)c1C=O
InChIInChI=1S/C9H6O6/c10-1-4-5(2-11)7(13)9(15)8(14)6(4)3-12/h1-3,13-15H
InChIKeyANQZVBBNFRKDMX-UHFFFAOYSA-N
XLogP0.24
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.14
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2,3,4-trihydroxynaphthalene-1-carbaldehyde
CID 19689107
2-hydroxy-3,4,5,6-tetrakis(sulfanyl)benzaldehyde
CID 126763443
3-hydroxybenzene-1,2,4-tricarbaldehyde
CID 170942140
2,4-dihydroxy-6-methylbenzene-1,3-dicarbaldehyde
CID 601986
6-bromo-2,3-dihydroxybenzaldehyde
CID 818049
2-amino-3-hydroxy-4,5,6-trimethylbenzaldehyde
CID 58512865
6-amino-2,3-dihydroxybenzaldehyde
CID 54525793
3,4,6-trichloro-2-hydroxybenzaldehyde
CID 528385
actinium;2,4,6-trihydroxybenzaldehyde
CID 23534158
2,6-dihydroxybenzaldehyde;formaldehyde
CID 158378810
2-hydroxy-3,6-dimethoxy-4,5-dimethylbenzaldehyde
CID 10798490
3-hydroxy-5-oxo-1,2-dihydropyrazole-4-carbaldehyde
CID 135763221

Frequently Asked Questions

What is the IUPAC name of 4,5,6-trihydroxybenzene-1,2,3-tricarbaldehyde?
The IUPAC name of 4,5,6-trihydroxybenzene-1,2,3-tricarbaldehyde (CID 156771426) is 4,5,6-trihydroxybenzene-1,2,3-tricarbaldehyde.
What is the SMILES notation for 4,5,6-trihydroxybenzene-1,2,3-tricarbaldehyde?
The canonical SMILES for 4,5,6-trihydroxybenzene-1,2,3-tricarbaldehyde is O=Cc1c(O)c(O)c(O)c(C=O)c1C=O.
What is the InChIKey of 4,5,6-trihydroxybenzene-1,2,3-tricarbaldehyde?
The InChIKey is ANQZVBBNFRKDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6O6/c10-1-4-5(2-11)7(13)9(15)8(14)6(4)3-12/h1-3,13-15H.
What are the key properties of 4,5,6-trihydroxybenzene-1,2,3-tricarbaldehyde?
4,5,6-trihydroxybenzene-1,2,3-tricarbaldehyde has a molecular weight of 210.14 g/mol, XLogP of 0.24, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-trihydroxybenzene-1,2,3-tricarbaldehyde is sourced from PubChem (CID 156771426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).