9,10-dihydroxy-5,8-dioxo-6,7-dihydroanthracene-2-carboxylic acid

C15H10O6 — CID 23075085

IUPAC9,10-dihydroxy-5,8-dioxo-6,7-dihydroanthracene-2-carboxylic acid
SMILESO=C(O)c1ccc2c(O)c3c(c(O)c2c1)C(=O)CCC3=O
InChIInChI=1S/C15H10O6/c16-9-3-4-10(17)12-11(9)13(18)7-2-1-6(15(20)21)5-8(7)14(12)19/h1-2,5,18-19H,3-4H2,(H,20,21)
InChIKeyDPBBROFMQALIQY-UHFFFAOYSA-N
MW286.24 g/mol
LogP2.11
Rot. Bonds1

About 9,10-dihydroxy-5,8-dioxo-6,7-dihydroanthracene-2-carboxylic acid

9,10-dihydroxy-5,8-dioxo-6,7-dihydroanthracene-2-carboxylic acid (PubChem CID 23075085) has the molecular formula C15H10O6 and a molecular weight of 286.24 g/mol. Its IUPAC name is 9,10-dihydroxy-5,8-dioxo-6,7-dihydroanthracene-2-carboxylic acid.

Molecular Properties

Compound Name9,10-dihydroxy-5,8-dioxo-6,7-dihydroanthracene-2-carboxylic acid
PubChem CID23075085
Molecular FormulaC15H10O6
Molecular Weight286.24 g/mol
Exact Mass286.05
IUPAC Name9,10-dihydroxy-5,8-dioxo-6,7-dihydroanthracene-2-carboxylic acid
SMILESO=C(O)c1ccc2c(O)c3c(c(O)c2c1)C(=O)CCC3=O
InChIInChI=1S/C15H10O6/c16-9-3-4-10(17)12-11(9)13(18)7-2-1-6(15(20)21)5-8(7)14(12)19/h1-2,5,18-19H,3-4H2,(H,20,21)
InChIKeyDPBBROFMQALIQY-UHFFFAOYSA-N
XLogP2.11
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_gamma(5)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9,10-dihydroxy-5,8-dioxo-6,7-dihydroanthracene-2-carboxylic acid?
The IUPAC name of 9,10-dihydroxy-5,8-dioxo-6,7-dihydroanthracene-2-carboxylic acid (CID 23075085) is 9,10-dihydroxy-5,8-dioxo-6,7-dihydroanthracene-2-carboxylic acid.
What is the SMILES notation for 9,10-dihydroxy-5,8-dioxo-6,7-dihydroanthracene-2-carboxylic acid?
The canonical SMILES for 9,10-dihydroxy-5,8-dioxo-6,7-dihydroanthracene-2-carboxylic acid is O=C(O)c1ccc2c(O)c3c(c(O)c2c1)C(=O)CCC3=O.
What is the InChIKey of 9,10-dihydroxy-5,8-dioxo-6,7-dihydroanthracene-2-carboxylic acid?
The InChIKey is DPBBROFMQALIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O6/c16-9-3-4-10(17)12-11(9)13(18)7-2-1-6(15(20)21)5-8(7)14(12)19/h1-2,5,18-19H,3-4H2,(H,20,21).
What are the key properties of 9,10-dihydroxy-5,8-dioxo-6,7-dihydroanthracene-2-carboxylic acid?
9,10-dihydroxy-5,8-dioxo-6,7-dihydroanthracene-2-carboxylic acid has a molecular weight of 286.24 g/mol, XLogP of 2.11, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dihydroxy-5,8-dioxo-6,7-dihydroanthracene-2-carboxylic acid is sourced from PubChem (CID 23075085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).