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

C10H9O3Y+2 — CID 20627841

IUPAC2,3,4,6-tetrahydrochromen-6-ide-2-carboxylic acid;yttrium(3+)
SMILESO=C(O)C1CCc2c[c-]ccc2O1.[Y+3]
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;+3
InChIKeyCFYQJRBIFQMBSA-UHFFFAOYSA-N
MW266.08 g/mol
LogP1.26
Rot. Bonds1

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

2,3,4,6-tetrahydrochromen-6-ide-2-carboxylic acid;yttrium(3+) (PubChem CID 20627841) has the molecular formula C10H9O3Y+2 and a molecular weight of 266.08 g/mol. Its IUPAC name is 2,3,4,6-tetrahydrochromen-6-ide-2-carboxylic acid;yttrium(3+).

Molecular Properties

Compound Name2,3,4,6-tetrahydrochromen-6-ide-2-carboxylic acid;yttrium(3+)
PubChem CID20627841
Molecular FormulaC10H9O3Y+2
Molecular Weight266.08 g/mol
Exact Mass265.96
IUPAC Name2,3,4,6-tetrahydrochromen-6-ide-2-carboxylic acid;yttrium(3+)
SMILESO=C(O)C1CCc2c[c-]ccc2O1.[Y+3]
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;+3
InChIKeyCFYQJRBIFQMBSA-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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3,5-dihydro-2H-1-benzofuran-5-ide-2-carboxylic acid;yttrium
CID 59106145
2,3,4,6-Tetrahydrochromen-6-ide-2-carboxylic acid;yttrium
CID 59118127
2,6-Dihydrocyclohepta[h]chromene-2-carboxylic acid
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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

Frequently Asked Questions

What is the IUPAC name of 2,3,4,6-tetrahydrochromen-6-ide-2-carboxylic acid;yttrium(3+)?
The IUPAC name of 2,3,4,6-tetrahydrochromen-6-ide-2-carboxylic acid;yttrium(3+) (CID 20627841) is 2,3,4,6-tetrahydrochromen-6-ide-2-carboxylic acid;yttrium(3+).
What is the SMILES notation for 2,3,4,6-tetrahydrochromen-6-ide-2-carboxylic acid;yttrium(3+)?
The canonical SMILES for 2,3,4,6-tetrahydrochromen-6-ide-2-carboxylic acid;yttrium(3+) is O=C(O)C1CCc2c[c-]ccc2O1.[Y+3].
What is the InChIKey of 2,3,4,6-tetrahydrochromen-6-ide-2-carboxylic acid;yttrium(3+)?
The InChIKey is CFYQJRBIFQMBSA-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;+3.
What are the key properties of 2,3,4,6-tetrahydrochromen-6-ide-2-carboxylic acid;yttrium(3+)?
2,3,4,6-tetrahydrochromen-6-ide-2-carboxylic acid;yttrium(3+) 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(3+) is sourced from PubChem (CID 20627841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).