sodium;hydride;9H-xanthene-9-carboxylic acid

C14H11NaO3 — CID 174314940

IUPACsodium;hydride;9H-xanthene-9-carboxylic acid
SMILESO=C(O)C1c2ccccc2Oc2ccccc21.[H-].[Na+]
InChIInChI=1S/C14H10O3.Na.H/c15-14(16)13-9-5-1-3-7-11(9)17-12-8-4-2-6-10(12)13;;/h1-8,13H,(H,15,16);;/q;+1;-1
InChIKeyRULRVEWJFXUYRN-UHFFFAOYSA-N
MW250.23 g/mol
LogP0.13
Rot. Bonds1

About sodium;hydride;9H-xanthene-9-carboxylic acid

sodium;hydride;9H-xanthene-9-carboxylic acid (PubChem CID 174314940) has the molecular formula C14H11NaO3 and a molecular weight of 250.23 g/mol. Its IUPAC name is sodium;hydride;9H-xanthene-9-carboxylic acid.

Molecular Properties

Compound Namesodium;hydride;9H-xanthene-9-carboxylic acid
PubChem CID174314940
Molecular FormulaC14H11NaO3
Molecular Weight250.23 g/mol
Exact Mass250.06
IUPAC Namesodium;hydride;9H-xanthene-9-carboxylic acid
SMILESO=C(O)C1c2ccccc2Oc2ccccc21.[H-].[Na+]
InChIInChI=1S/C14H10O3.Na.H/c15-14(16)13-9-5-1-3-7-11(9)17-12-8-4-2-6-10(12)13;;/h1-8,13H,(H,15,16);;/q;+1;-1
InChIKeyRULRVEWJFXUYRN-UHFFFAOYSA-N
XLogP0.13
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of sodium;hydride;9H-xanthene-9-carboxylic acid?
The IUPAC name of sodium;hydride;9H-xanthene-9-carboxylic acid (CID 174314940) is sodium;hydride;9H-xanthene-9-carboxylic acid.
What is the SMILES notation for sodium;hydride;9H-xanthene-9-carboxylic acid?
The canonical SMILES for sodium;hydride;9H-xanthene-9-carboxylic acid is O=C(O)C1c2ccccc2Oc2ccccc21.[H-].[Na+].
What is the InChIKey of sodium;hydride;9H-xanthene-9-carboxylic acid?
The InChIKey is RULRVEWJFXUYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O3.Na.H/c15-14(16)13-9-5-1-3-7-11(9)17-12-8-4-2-6-10(12)13;;/h1-8,13H,(H,15,16);;/q;+1;-1.
What are the key properties of sodium;hydride;9H-xanthene-9-carboxylic acid?
sodium;hydride;9H-xanthene-9-carboxylic acid has a molecular weight of 250.23 g/mol, XLogP of 0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;9H-xanthene-9-carboxylic acid is sourced from PubChem (CID 174314940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).