9,10-dioxo-6,7-dihydroanthracene-2-carboxylic acid

C15H10O4 — CID 144801520

IUPAC9,10-dioxo-6,7-dihydroanthracene-2-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C(=O)C1=CCCC=C1C2=O
InChIInChI=1S/C15H10O4/c16-13-9-3-1-2-4-10(9)14(17)12-7-8(15(18)19)5-6-11(12)13/h3-7H,1-2H2,(H,18,19)
InChIKeyLYXPUHKIUHYUSR-UHFFFAOYSA-N
MW254.24 g/mol
LogP2.41
Rot. Bonds1

About 9,10-dioxo-6,7-dihydroanthracene-2-carboxylic acid

9,10-dioxo-6,7-dihydroanthracene-2-carboxylic acid (PubChem CID 144801520) has the molecular formula C15H10O4 and a molecular weight of 254.24 g/mol. Its IUPAC name is 9,10-dioxo-6,7-dihydroanthracene-2-carboxylic acid.

Molecular Properties

Compound Name9,10-dioxo-6,7-dihydroanthracene-2-carboxylic acid
PubChem CID144801520
Molecular FormulaC15H10O4
Molecular Weight254.24 g/mol
Exact Mass254.06
IUPAC Name9,10-dioxo-6,7-dihydroanthracene-2-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C(=O)C1=CCCC=C1C2=O
InChIInChI=1S/C15H10O4/c16-13-9-3-1-2-4-10(9)14(17)12-7-8(15(18)19)5-6-11(12)13/h3-7H,1-2H2,(H,18,19)
InChIKeyLYXPUHKIUHYUSR-UHFFFAOYSA-N
XLogP2.41
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

lithium;9,10-dioxoanthracene-2-carboxylic acid;hydride
CID 174801705
9,10-dioxoanthracene-2-carboxylic acid;gold
CID 175791261
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CID 154137523
9,10-dioxo-6-sulfoanthracene-2-carboxylic acid
CID 20530067
5,8-difluoro-9,10-dioxoanthracene-2-carboxylic acid
CID 135305382
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CID 154125331
9,10-dioxoanthracene-1,2,6-tricarboxylic acid
CID 150170730
(2Z)-2-[(4-fluorophenyl)methylidene]-1,3-dioxoindene-5-carboxylic acid
CID 155555177
biphenylene-2-carboxylic acid;hydrochloride
CID 70419826
8-(2,4-dimethylphenyl)-5,6-dihydronaphthalene-2-carboxylic acid
CID 58407165
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7-formyloxy-9-oxofluorene-2-carboxylic acid
CID 58307545

Frequently Asked Questions

What is the IUPAC name of 9,10-dioxo-6,7-dihydroanthracene-2-carboxylic acid?
The IUPAC name of 9,10-dioxo-6,7-dihydroanthracene-2-carboxylic acid (CID 144801520) is 9,10-dioxo-6,7-dihydroanthracene-2-carboxylic acid.
What is the SMILES notation for 9,10-dioxo-6,7-dihydroanthracene-2-carboxylic acid?
The canonical SMILES for 9,10-dioxo-6,7-dihydroanthracene-2-carboxylic acid is O=C(O)c1ccc2c(c1)C(=O)C1=CCCC=C1C2=O.
What is the InChIKey of 9,10-dioxo-6,7-dihydroanthracene-2-carboxylic acid?
The InChIKey is LYXPUHKIUHYUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O4/c16-13-9-3-1-2-4-10(9)14(17)12-7-8(15(18)19)5-6-11(12)13/h3-7H,1-2H2,(H,18,19).
What are the key properties of 9,10-dioxo-6,7-dihydroanthracene-2-carboxylic acid?
9,10-dioxo-6,7-dihydroanthracene-2-carboxylic acid has a molecular weight of 254.24 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dioxo-6,7-dihydroanthracene-2-carboxylic acid is sourced from PubChem (CID 144801520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).