propanedioic acid;terbium

C3H4O4Tb — CID 87785742

IUPACpropanedioic acid;terbium
SMILESO=C(O)CC(=O)O.[Tb]
InChIInChI=1S/C3H4O4.Tb/c4-2(5)1-3(6)7;/h1H2,(H,4,5)(H,6,7);
InChIKeyNGFMCHHHTNNIBS-UHFFFAOYSA-N
MW262.99 g/mol
LogP-0.45
Rot. Bonds2

About propanedioic acid;terbium

propanedioic acid;terbium (PubChem CID 87785742) has the molecular formula C3H4O4Tb and a molecular weight of 262.99 g/mol. Its IUPAC name is propanedioic acid;terbium.

Molecular Properties

Compound Namepropanedioic acid;terbium
PubChem CID87785742
Molecular FormulaC3H4O4Tb
Molecular Weight262.99 g/mol
Exact Mass262.94
IUPAC Namepropanedioic acid;terbium
SMILESO=C(O)CC(=O)O.[Tb]
InChIInChI=1S/C3H4O4.Tb/c4-2(5)1-3(6)7;/h1H2,(H,4,5)(H,6,7);
InChIKeyNGFMCHHHTNNIBS-UHFFFAOYSA-N
XLogP-0.45
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.99
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propanedioic acid;terbium?
The IUPAC name of propanedioic acid;terbium (CID 87785742) is propanedioic acid;terbium.
What is the SMILES notation for propanedioic acid;terbium?
The canonical SMILES for propanedioic acid;terbium is O=C(O)CC(=O)O.[Tb].
What is the InChIKey of propanedioic acid;terbium?
The InChIKey is NGFMCHHHTNNIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O4.Tb/c4-2(5)1-3(6)7;/h1H2,(H,4,5)(H,6,7);.
What are the key properties of propanedioic acid;terbium?
propanedioic acid;terbium has a molecular weight of 262.99 g/mol, XLogP of -0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propanedioic acid;terbium is sourced from PubChem (CID 87785742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).