sodium 2-(9-oxoacridin-10-yl)acetate

C15H10NNaO3 — CID 23684339

IUPACsodium 2-(9-oxoacridin-10-yl)acetate
SMILESO=C([O-])Cn1c2ccccc2c(=O)c2ccccc21.[Na+]
InChIInChI=1S/C15H11NO3.Na/c17-14(18)9-16-12-7-3-1-5-10(12)15(19)11-6-2-4-8-13(11)16;/h1-8H,9H2,(H,17,18);/q;+1/p-1
InChIKeyFQMLTEAEJZVTAJ-UHFFFAOYSA-M
MW275.24 g/mol
LogP-2.09
Rot. Bonds2

About sodium 2-(9-oxoacridin-10-yl)acetate

sodium 2-(9-oxoacridin-10-yl)acetate (PubChem CID 23684339) has the molecular formula C15H10NNaO3 and a molecular weight of 275.24 g/mol. Its IUPAC name is sodium 2-(9-oxoacridin-10-yl)acetate.

Molecular Properties

Compound Namesodium 2-(9-oxoacridin-10-yl)acetate
PubChem CID23684339
Molecular FormulaC15H10NNaO3
Molecular Weight275.24 g/mol
Exact Mass275.06
IUPAC Namesodium 2-(9-oxoacridin-10-yl)acetate
SMILESO=C([O-])Cn1c2ccccc2c(=O)c2ccccc21.[Na+]
InChIInChI=1S/C15H11NO3.Na/c17-14(18)9-16-12-7-3-1-5-10(12)15(19)11-6-2-4-8-13(11)16;/h1-8H,9H2,(H,17,18);/q;+1/p-1
InChIKeyFQMLTEAEJZVTAJ-UHFFFAOYSA-M
XLogP-2.09
TPSA62.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.24
LogP ≤ 5-2.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium 2-(9-oxoacridin-10-yl)acetate?
The IUPAC name of sodium 2-(9-oxoacridin-10-yl)acetate (CID 23684339) is sodium 2-(9-oxoacridin-10-yl)acetate.
What is the SMILES notation for sodium 2-(9-oxoacridin-10-yl)acetate?
The canonical SMILES for sodium 2-(9-oxoacridin-10-yl)acetate is O=C([O-])Cn1c2ccccc2c(=O)c2ccccc21.[Na+].
What is the InChIKey of sodium 2-(9-oxoacridin-10-yl)acetate?
The InChIKey is FQMLTEAEJZVTAJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H11NO3.Na/c17-14(18)9-16-12-7-3-1-5-10(12)15(19)11-6-2-4-8-13(11)16;/h1-8H,9H2,(H,17,18);/q;+1/p-1.
What are the key properties of sodium 2-(9-oxoacridin-10-yl)acetate?
sodium 2-(9-oxoacridin-10-yl)acetate has a molecular weight of 275.24 g/mol, XLogP of -2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(9-oxoacridin-10-yl)acetate is sourced from PubChem (CID 23684339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).