2,3,4,6-tetrahydrochromen-6-ide-2-carboxylic acid;yttrium

C10H9O3Y- — CID 59118127

IUPAC2,3,4,6-tetrahydrochromen-6-ide-2-carboxylic acid;yttrium
SMILESO=C(O)C1CCc2c[c-]ccc2O1.[Y]
InChIInChI=1S/C10H9O3.Y/c11-10(12)9-6-5-7-3-1-2-4-8(7)13-9;/h2-4,9H,5-6H2,(H,11,12);/q-1;
InChIKeyGWGXYVKKBRGVSX-UHFFFAOYSA-N
MW266.08 g/mol
LogP1.26
Rot. Bonds1

About 2,3,4,6-tetrahydrochromen-6-ide-2-carboxylic acid;yttrium

2,3,4,6-tetrahydrochromen-6-ide-2-carboxylic acid;yttrium (PubChem CID 59118127) has the molecular formula C10H9O3Y- and a molecular weight of 266.08 g/mol. Its IUPAC name is 2,3,4,6-tetrahydrochromen-6-ide-2-carboxylic acid;yttrium.

Molecular Properties

Compound Name2,3,4,6-tetrahydrochromen-6-ide-2-carboxylic acid;yttrium
PubChem CID59118127
Molecular FormulaC10H9O3Y-
Molecular Weight266.08 g/mol
Exact Mass265.96
IUPAC Name2,3,4,6-tetrahydrochromen-6-ide-2-carboxylic acid;yttrium
SMILESO=C(O)C1CCc2c[c-]ccc2O1.[Y]
InChIInChI=1S/C10H9O3.Y/c11-10(12)9-6-5-7-3-1-2-4-8(7)13-9;/h2-4,9H,5-6H2,(H,11,12);/q-1;
InChIKeyGWGXYVKKBRGVSX-UHFFFAOYSA-N
XLogP1.26
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.08
LogP ≤ 51.26
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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Related Compounds

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2,5-Dihydropyrano[3,2-g]chromene-2-carboxylic acid
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3,5-dihydro-2H-1-benzofuran-5-ide-2-carboxylic acid;yttrium
CID 59106145
2,6-Dihydrocyclohepta[h]chromene-2-carboxylic acid
CID 88780852
8-Methoxy-5-methyl-4-methylidene-2-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylidenenona-5,7-dienoic acid
CID 123240586
2-Acetyloxy-2-cyclohexa-1,3-dien-1-ylacetic acid
CID 123452076
2-[4-(Oxomethylidene)cyclohexa-1,5-dien-1-yl]oxypentanoic acid
CID 141238413
(5E,7Z,9E)-5-methyl-3,4-dihydro-2H-oxecine-2-carboxylic acid
CID 141955565
ethane;(5Z,6E)-5-ethylidene-6-propylideneoxane-2-carboxylic acid
CID 141955589
3,4,6,7-tetrahydro-2H-chromene-2-carboxylic acid
CID 143567616
(2S)-2,3,4,6-tetrahydrochromen-6-ide-2-carboxylic acid;1-[(2R)-2,3,4,6-tetrahydrochromen-6-id-2-yl]ethanone;bis(yttrium)
CID 162020711
Iridium;1,3,4,7-tetrahydroisochromen-7-ide-3-carboxylic acid
CID 169110079

Frequently Asked Questions

What is the IUPAC name of 2,3,4,6-tetrahydrochromen-6-ide-2-carboxylic acid;yttrium?
The IUPAC name of 2,3,4,6-tetrahydrochromen-6-ide-2-carboxylic acid;yttrium (CID 59118127) is 2,3,4,6-tetrahydrochromen-6-ide-2-carboxylic acid;yttrium.
What is the SMILES notation for 2,3,4,6-tetrahydrochromen-6-ide-2-carboxylic acid;yttrium?
The canonical SMILES for 2,3,4,6-tetrahydrochromen-6-ide-2-carboxylic acid;yttrium is O=C(O)C1CCc2c[c-]ccc2O1.[Y].
What is the InChIKey of 2,3,4,6-tetrahydrochromen-6-ide-2-carboxylic acid;yttrium?
The InChIKey is GWGXYVKKBRGVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9O3.Y/c11-10(12)9-6-5-7-3-1-2-4-8(7)13-9;/h2-4,9H,5-6H2,(H,11,12);/q-1;.
What are the key properties of 2,3,4,6-tetrahydrochromen-6-ide-2-carboxylic acid;yttrium?
2,3,4,6-tetrahydrochromen-6-ide-2-carboxylic acid;yttrium has a molecular weight of 266.08 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6-tetrahydrochromen-6-ide-2-carboxylic acid;yttrium is sourced from PubChem (CID 59118127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).