9,10-dioxoanthracene-2-carboxylic acid;gold

C15H8AuO4 — CID 175791261

IUPAC9,10-dioxoanthracene-2-carboxylic acid;gold
SMILESO=C(O)c1ccc2c(c1)C(=O)c1ccccc1C2=O.[Au]
InChIInChI=1S/C15H8O4.Au/c16-13-9-3-1-2-4-10(9)14(17)12-7-8(15(18)19)5-6-11(12)13;/h1-7H,(H,18,19);
InChIKeyCPOOQZQLCJGALX-UHFFFAOYSA-N
MW449.19 g/mol
LogP2.16
Rot. Bonds1

About 9,10-dioxoanthracene-2-carboxylic acid;gold

9,10-dioxoanthracene-2-carboxylic acid;gold (PubChem CID 175791261) has the molecular formula C15H8AuO4 and a molecular weight of 449.19 g/mol. Its IUPAC name is 9,10-dioxoanthracene-2-carboxylic acid;gold.

Molecular Properties

Compound Name9,10-dioxoanthracene-2-carboxylic acid;gold
PubChem CID175791261
Molecular FormulaC15H8AuO4
Molecular Weight449.19 g/mol
Exact Mass449.01
IUPAC Name9,10-dioxoanthracene-2-carboxylic acid;gold
SMILESO=C(O)c1ccc2c(c1)C(=O)c1ccccc1C2=O.[Au]
InChIInChI=1S/C15H8O4.Au/c16-13-9-3-1-2-4-10(9)14(17)12-7-8(15(18)19)5-6-11(12)13;/h1-7H,(H,18,19);
InChIKeyCPOOQZQLCJGALX-UHFFFAOYSA-N
XLogP2.16
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.19
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

lithium;9,10-dioxoanthracene-2-carboxylic acid;hydride
CID 174801705
biphenylene-2-carboxylic acid;hydrochloride
CID 70419826
6-amino-9,10-dioxoanthracene-2-carboxylic acid
CID 154137523
4-[(9,10-dioxoanthracene-2-carbonyl)amino]benzoic acid
CID 155606415
9,10-dioxo-6-sulfoanthracene-2-carboxylic acid
CID 20530067
9,10-dioxo-6,7-dihydroanthracene-2-carboxylic acid
CID 144801520
5,8-difluoro-9,10-dioxoanthracene-2-carboxylic acid
CID 135305382
9,10-dioxo-6-piperidin-1-ylanthracene-2-carboxylic acid
CID 154125331
2-[(9,10-dioxoanthracene-2-carbonyl)amino]acetic acid
CID 10380616
9,10-dioxoanthracene-1,2,6-tricarboxylic acid
CID 150170730
N-(9,10-dioxoanthracen-2-yl)-9,10-dioxoanthracene-2-carboxamide
CID 122363971
3-[(9,10-dioxoanthracene-2-carbonyl)amino]propanoic acid
CID 72725647

Frequently Asked Questions

What is the IUPAC name of 9,10-dioxoanthracene-2-carboxylic acid;gold?
The IUPAC name of 9,10-dioxoanthracene-2-carboxylic acid;gold (CID 175791261) is 9,10-dioxoanthracene-2-carboxylic acid;gold.
What is the SMILES notation for 9,10-dioxoanthracene-2-carboxylic acid;gold?
The canonical SMILES for 9,10-dioxoanthracene-2-carboxylic acid;gold is O=C(O)c1ccc2c(c1)C(=O)c1ccccc1C2=O.[Au].
What is the InChIKey of 9,10-dioxoanthracene-2-carboxylic acid;gold?
The InChIKey is CPOOQZQLCJGALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8O4.Au/c16-13-9-3-1-2-4-10(9)14(17)12-7-8(15(18)19)5-6-11(12)13;/h1-7H,(H,18,19);.
What are the key properties of 9,10-dioxoanthracene-2-carboxylic acid;gold?
9,10-dioxoanthracene-2-carboxylic acid;gold has a molecular weight of 449.19 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dioxoanthracene-2-carboxylic acid;gold is sourced from PubChem (CID 175791261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).