actinium;3,4-dihydroxybenzaldehyde

C7H6Ac2O3 — CID 20596648

IUPACactinium;3,4-dihydroxybenzaldehyde
SMILESO=Cc1ccc(O)c(O)c1.[Ac].[Ac]
InChIInChI=1S/C7H6O3.2Ac/c8-4-5-1-2-6(9)7(10)3-5;;/h1-4,9-10H;;
InChIKeyFDYLRIKGQDAOCH-UHFFFAOYSA-N
MW592.12 g/mol
LogP0.91
Rot. Bonds1

About actinium;3,4-dihydroxybenzaldehyde

actinium;3,4-dihydroxybenzaldehyde (PubChem CID 20596648) has the molecular formula C7H6Ac2O3 and a molecular weight of 592.12 g/mol. Its IUPAC name is actinium;3,4-dihydroxybenzaldehyde.

Molecular Properties

Compound Nameactinium;3,4-dihydroxybenzaldehyde
PubChem CID20596648
Molecular FormulaC7H6Ac2O3
Molecular Weight592.12 g/mol
Exact Mass592.09
IUPAC Nameactinium;3,4-dihydroxybenzaldehyde
SMILESO=Cc1ccc(O)c(O)c1.[Ac].[Ac]
InChIInChI=1S/C7H6O3.2Ac/c8-4-5-1-2-6(9)7(10)3-5;;/h1-4,9-10H;;
InChIKeyFDYLRIKGQDAOCH-UHFFFAOYSA-N
XLogP0.91
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500592.12
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of actinium;3,4-dihydroxybenzaldehyde?
The IUPAC name of actinium;3,4-dihydroxybenzaldehyde (CID 20596648) is actinium;3,4-dihydroxybenzaldehyde.
What is the SMILES notation for actinium;3,4-dihydroxybenzaldehyde?
The canonical SMILES for actinium;3,4-dihydroxybenzaldehyde is O=Cc1ccc(O)c(O)c1.[Ac].[Ac].
What is the InChIKey of actinium;3,4-dihydroxybenzaldehyde?
The InChIKey is FDYLRIKGQDAOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O3.2Ac/c8-4-5-1-2-6(9)7(10)3-5;;/h1-4,9-10H;;.
What are the key properties of actinium;3,4-dihydroxybenzaldehyde?
actinium;3,4-dihydroxybenzaldehyde has a molecular weight of 592.12 g/mol, XLogP of 0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;3,4-dihydroxybenzaldehyde is sourced from PubChem (CID 20596648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).