7-amino-9-oxoxanthene-3-carboxylic acid

C14H9NO4 — CID 23275043

IUPAC7-amino-9-oxoxanthene-3-carboxylic acid
SMILESNc1ccc2oc3cc(C(=O)O)ccc3c(=O)c2c1
InChIInChI=1S/C14H9NO4/c15-8-2-4-11-10(6-8)13(16)9-3-1-7(14(17)18)5-12(9)19-11/h1-6H,15H2,(H,17,18)
InChIKeyYZVFGVAQOOAOFV-UHFFFAOYSA-N
MW255.23 g/mol
LogP2.23
Rot. Bonds1

About 7-amino-9-oxoxanthene-3-carboxylic acid

7-amino-9-oxoxanthene-3-carboxylic acid (PubChem CID 23275043) has the molecular formula C14H9NO4 and a molecular weight of 255.23 g/mol. Its IUPAC name is 7-amino-9-oxoxanthene-3-carboxylic acid.

Molecular Properties

Compound Name7-amino-9-oxoxanthene-3-carboxylic acid
PubChem CID23275043
Molecular FormulaC14H9NO4
Molecular Weight255.23 g/mol
Exact Mass255.05
IUPAC Name7-amino-9-oxoxanthene-3-carboxylic acid
SMILESNc1ccc2oc3cc(C(=O)O)ccc3c(=O)c2c1
InChIInChI=1S/C14H9NO4/c15-8-2-4-11-10(6-8)13(16)9-3-1-7(14(17)18)5-12(9)19-11/h1-6H,15H2,(H,17,18)
InChIKeyYZVFGVAQOOAOFV-UHFFFAOYSA-N
XLogP2.23
TPSA93.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-amino-9-oxoxanthene-3-carboxylic acid?
The IUPAC name of 7-amino-9-oxoxanthene-3-carboxylic acid (CID 23275043) is 7-amino-9-oxoxanthene-3-carboxylic acid.
What is the SMILES notation for 7-amino-9-oxoxanthene-3-carboxylic acid?
The canonical SMILES for 7-amino-9-oxoxanthene-3-carboxylic acid is Nc1ccc2oc3cc(C(=O)O)ccc3c(=O)c2c1.
What is the InChIKey of 7-amino-9-oxoxanthene-3-carboxylic acid?
The InChIKey is YZVFGVAQOOAOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO4/c15-8-2-4-11-10(6-8)13(16)9-3-1-7(14(17)18)5-12(9)19-11/h1-6H,15H2,(H,17,18).
What are the key properties of 7-amino-9-oxoxanthene-3-carboxylic acid?
7-amino-9-oxoxanthene-3-carboxylic acid has a molecular weight of 255.23 g/mol, XLogP of 2.23, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-9-oxoxanthene-3-carboxylic acid is sourced from PubChem (CID 23275043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).