actinium;2,4,6-trihydroxybenzaldehyde

C7H6Ac3O4 — CID 23534158

IUPACactinium;2,4,6-trihydroxybenzaldehyde
SMILESO=Cc1c(O)cc(O)cc1O.[Ac].[Ac].[Ac]
InChIInChI=1S/C7H6O4.3Ac/c8-3-5-6(10)1-4(9)2-7(5)11;;;/h1-3,9-11H;;;
InChIKeyVSJZVCKWDUHAJI-UHFFFAOYSA-N
MW835.12 g/mol
LogP0.62
Rot. Bonds1

About actinium;2,4,6-trihydroxybenzaldehyde

actinium;2,4,6-trihydroxybenzaldehyde (PubChem CID 23534158) has the molecular formula C7H6Ac3O4 and a molecular weight of 835.12 g/mol. Its IUPAC name is actinium;2,4,6-trihydroxybenzaldehyde.

Molecular Properties

Compound Nameactinium;2,4,6-trihydroxybenzaldehyde
PubChem CID23534158
Molecular FormulaC7H6Ac3O4
Molecular Weight835.12 g/mol
Exact Mass835.11
IUPAC Nameactinium;2,4,6-trihydroxybenzaldehyde
SMILESO=Cc1c(O)cc(O)cc1O.[Ac].[Ac].[Ac]
InChIInChI=1S/C7H6O4.3Ac/c8-3-5-6(10)1-4(9)2-7(5)11;;;/h1-3,9-11H;;;
InChIKeyVSJZVCKWDUHAJI-UHFFFAOYSA-N
XLogP0.62
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500835.12
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4,6-trihydroxybenzaldehyde;2,4,6-trimethylbenzaldehyde
CID 159352487
2-[(E)-2-(2,4,6-trihydroxyphenyl)ethenyl]benzene-1,3,5-triol
CID 10221223
2-ethoxy-4,6-dihydroxybenzaldehyde
CID 130024854
(4-formyl-3,5-dihydroxyphenyl)boronic acid
CID 171487300
4-(dimethylamino)-2,6-dihydroxybenzaldehyde
CID 90461716
2,4-dihydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]benzaldehyde
CID 24850536
2-benzoyl-4,6-dihydroxybenzaldehyde
CID 21197183
2,3,4-trichloro-6-hydroxybenzaldehyde
CID 528388
2,6-dihydroxybenzaldehyde;formaldehyde
CID 158378810
2,4-dihydroxy-6-methylbenzene-1,3-dicarbaldehyde
CID 601986
3,5-dihydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 169438397
2,5-dihydroxybenzaldehyde;2,6-dihydroxybenzaldehyde
CID 175471509

Frequently Asked Questions

What is the IUPAC name of actinium;2,4,6-trihydroxybenzaldehyde?
The IUPAC name of actinium;2,4,6-trihydroxybenzaldehyde (CID 23534158) is actinium;2,4,6-trihydroxybenzaldehyde.
What is the SMILES notation for actinium;2,4,6-trihydroxybenzaldehyde?
The canonical SMILES for actinium;2,4,6-trihydroxybenzaldehyde is O=Cc1c(O)cc(O)cc1O.[Ac].[Ac].[Ac].
What is the InChIKey of actinium;2,4,6-trihydroxybenzaldehyde?
The InChIKey is VSJZVCKWDUHAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O4.3Ac/c8-3-5-6(10)1-4(9)2-7(5)11;;;/h1-3,9-11H;;;.
What are the key properties of actinium;2,4,6-trihydroxybenzaldehyde?
actinium;2,4,6-trihydroxybenzaldehyde has a molecular weight of 835.12 g/mol, XLogP of 0.62, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;2,4,6-trihydroxybenzaldehyde is sourced from PubChem (CID 23534158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).