3,4-dihydroxybenzaldehyde;rutherfordium

C7H6O3Rf — CID 59432210

IUPAC3,4-dihydroxybenzaldehyde;rutherfordium
SMILESO=Cc1ccc(O)c(O)c1.[Rf]
InChIInChI=1S/C7H6O3.Rf/c8-4-5-1-2-6(9)7(10)3-5;/h1-4,9-10H;
InChIKeyGTNKVTBYRQXAAC-UHFFFAOYSA-N
MW405.12 g/mol
LogP0.91
Rot. Bonds1

About 3,4-dihydroxybenzaldehyde;rutherfordium

3,4-dihydroxybenzaldehyde;rutherfordium (PubChem CID 59432210) has the molecular formula C7H6O3Rf and a molecular weight of 405.12 g/mol. Its IUPAC name is 3,4-dihydroxybenzaldehyde;rutherfordium.

Molecular Properties

Compound Name3,4-dihydroxybenzaldehyde;rutherfordium
PubChem CID59432210
Molecular FormulaC7H6O3Rf
Molecular Weight405.12 g/mol
Exact Mass405.15
IUPAC Name3,4-dihydroxybenzaldehyde;rutherfordium
SMILESO=Cc1ccc(O)c(O)c1.[Rf]
InChIInChI=1S/C7H6O3.Rf/c8-4-5-1-2-6(9)7(10)3-5;/h1-4,9-10H;
InChIKeyGTNKVTBYRQXAAC-UHFFFAOYSA-N
XLogP0.91
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.12
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 3,4-dihydroxybenzaldehyde;rutherfordium?
The IUPAC name of 3,4-dihydroxybenzaldehyde;rutherfordium (CID 59432210) is 3,4-dihydroxybenzaldehyde;rutherfordium.
What is the SMILES notation for 3,4-dihydroxybenzaldehyde;rutherfordium?
The canonical SMILES for 3,4-dihydroxybenzaldehyde;rutherfordium is O=Cc1ccc(O)c(O)c1.[Rf].
What is the InChIKey of 3,4-dihydroxybenzaldehyde;rutherfordium?
The InChIKey is GTNKVTBYRQXAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O3.Rf/c8-4-5-1-2-6(9)7(10)3-5;/h1-4,9-10H;.
What are the key properties of 3,4-dihydroxybenzaldehyde;rutherfordium?
3,4-dihydroxybenzaldehyde;rutherfordium has a molecular weight of 405.12 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 3,4-dihydroxybenzaldehyde;rutherfordium is sourced from PubChem (CID 59432210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).