6-amino-9,10-dioxoanthracene-2-carboxylic acid

C15H9NO4 — CID 154137523

IUPAC6-amino-9,10-dioxoanthracene-2-carboxylic acid
SMILESNc1ccc2c(c1)C(=O)c1ccc(C(=O)O)cc1C2=O
InChIInChI=1S/C15H9NO4/c16-8-2-4-10-12(6-8)14(18)9-3-1-7(15(19)20)5-11(9)13(10)17/h1-6H,16H2,(H,19,20)
InChIKeyFUWNURORZBKUSW-UHFFFAOYSA-N
MW267.24 g/mol
LogP1.74
Rot. Bonds1

About 6-amino-9,10-dioxoanthracene-2-carboxylic acid

6-amino-9,10-dioxoanthracene-2-carboxylic acid (PubChem CID 154137523) has the molecular formula C15H9NO4 and a molecular weight of 267.24 g/mol. Its IUPAC name is 6-amino-9,10-dioxoanthracene-2-carboxylic acid.

Molecular Properties

Compound Name6-amino-9,10-dioxoanthracene-2-carboxylic acid
PubChem CID154137523
Molecular FormulaC15H9NO4
Molecular Weight267.24 g/mol
Exact Mass267.05
IUPAC Name6-amino-9,10-dioxoanthracene-2-carboxylic acid
SMILESNc1ccc2c(c1)C(=O)c1ccc(C(=O)O)cc1C2=O
InChIInChI=1S/C15H9NO4/c16-8-2-4-10-12(6-8)14(18)9-3-1-7(15(19)20)5-11(9)13(10)17/h1-6H,16H2,(H,19,20)
InChIKeyFUWNURORZBKUSW-UHFFFAOYSA-N
XLogP1.74
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

lithium;9,10-dioxoanthracene-2-carboxylic acid;hydride
CID 174801705
9,10-dioxoanthracene-2-carboxylic acid;gold
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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
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CID 18411559
9,10-dioxoanthracene-1,2,6-tricarboxylic acid
CID 150170730
9,10-dioxo-6-piperidin-1-ylanthracene-2-carboxylic acid
CID 154125331
benzene-1,4-diamine;naphthalene-2,6-dicarboxylic acid
CID 175159598
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CID 58307545
4-aminobenzoic acid;hydrofluoride
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CID 166791377

Frequently Asked Questions

What is the IUPAC name of 6-amino-9,10-dioxoanthracene-2-carboxylic acid?
The IUPAC name of 6-amino-9,10-dioxoanthracene-2-carboxylic acid (CID 154137523) is 6-amino-9,10-dioxoanthracene-2-carboxylic acid.
What is the SMILES notation for 6-amino-9,10-dioxoanthracene-2-carboxylic acid?
The canonical SMILES for 6-amino-9,10-dioxoanthracene-2-carboxylic acid is Nc1ccc2c(c1)C(=O)c1ccc(C(=O)O)cc1C2=O.
What is the InChIKey of 6-amino-9,10-dioxoanthracene-2-carboxylic acid?
The InChIKey is FUWNURORZBKUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NO4/c16-8-2-4-10-12(6-8)14(18)9-3-1-7(15(19)20)5-11(9)13(10)17/h1-6H,16H2,(H,19,20).
What are the key properties of 6-amino-9,10-dioxoanthracene-2-carboxylic acid?
6-amino-9,10-dioxoanthracene-2-carboxylic acid has a molecular weight of 267.24 g/mol, XLogP of 1.74, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-9,10-dioxoanthracene-2-carboxylic acid is sourced from PubChem (CID 154137523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).