3,5-dihydro-2H-1-benzofuran-5-ide-2-carboxylic acid;yttrium

C9H7O3Y- — CID 59106145

IUPAC3,5-dihydro-2H-1-benzofuran-5-ide-2-carboxylic acid;yttrium
SMILESO=C(O)C1Cc2c[c-]ccc2O1.[Y]
InChIInChI=1S/C9H7O3.Y/c10-9(11)8-5-6-3-1-2-4-7(6)12-8;/h2-4,8H,5H2,(H,10,11);/q-1;
InChIKeyQRHXYUWDXSJEGI-UHFFFAOYSA-N
MW252.06 g/mol
LogP0.87
Rot. Bonds1

About 3,5-dihydro-2H-1-benzofuran-5-ide-2-carboxylic acid;yttrium

3,5-dihydro-2H-1-benzofuran-5-ide-2-carboxylic acid;yttrium (PubChem CID 59106145) has the molecular formula C9H7O3Y- and a molecular weight of 252.06 g/mol. Its IUPAC name is 3,5-dihydro-2H-1-benzofuran-5-ide-2-carboxylic acid;yttrium.

Molecular Properties

Compound Name3,5-dihydro-2H-1-benzofuran-5-ide-2-carboxylic acid;yttrium
PubChem CID59106145
Molecular FormulaC9H7O3Y-
Molecular Weight252.06 g/mol
Exact Mass251.95
IUPAC Name3,5-dihydro-2H-1-benzofuran-5-ide-2-carboxylic acid;yttrium
SMILESO=C(O)C1Cc2c[c-]ccc2O1.[Y]
InChIInChI=1S/C9H7O3.Y/c10-9(11)8-5-6-3-1-2-4-7(6)12-8;/h2-4,8H,5H2,(H,10,11);/q-1;
InChIKeyQRHXYUWDXSJEGI-UHFFFAOYSA-N
XLogP0.87
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.06
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-dihydro-2H-1-benzofuran-5-ide-2-carboxylic acid;yttrium?
The IUPAC name of 3,5-dihydro-2H-1-benzofuran-5-ide-2-carboxylic acid;yttrium (CID 59106145) is 3,5-dihydro-2H-1-benzofuran-5-ide-2-carboxylic acid;yttrium.
What is the SMILES notation for 3,5-dihydro-2H-1-benzofuran-5-ide-2-carboxylic acid;yttrium?
The canonical SMILES for 3,5-dihydro-2H-1-benzofuran-5-ide-2-carboxylic acid;yttrium is O=C(O)C1Cc2c[c-]ccc2O1.[Y].
What is the InChIKey of 3,5-dihydro-2H-1-benzofuran-5-ide-2-carboxylic acid;yttrium?
The InChIKey is QRHXYUWDXSJEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7O3.Y/c10-9(11)8-5-6-3-1-2-4-7(6)12-8;/h2-4,8H,5H2,(H,10,11);/q-1;.
What are the key properties of 3,5-dihydro-2H-1-benzofuran-5-ide-2-carboxylic acid;yttrium?
3,5-dihydro-2H-1-benzofuran-5-ide-2-carboxylic acid;yttrium has a molecular weight of 252.06 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydro-2H-1-benzofuran-5-ide-2-carboxylic acid;yttrium is sourced from PubChem (CID 59106145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).