sodium;9H-xanthene-1-carboxylic acid;hydroxide

C14H11NaO4 — CID 67636026

IUPACsodium;9H-xanthene-1-carboxylic acid;hydroxide
SMILESO=C(O)c1cccc2c1Cc1ccccc1O2.[Na+].[OH-]
InChIInChI=1S/C14H10O3.Na.H2O/c15-14(16)10-5-3-7-13-11(10)8-9-4-1-2-6-12(9)17-13;;/h1-7H,8H2,(H,15,16);;1H2/q;+1;/p-1
InChIKeyFYXOCHPWUUYWKL-UHFFFAOYSA-M
MW266.23 g/mol
LogP-0.09
Rot. Bonds1

About sodium;9H-xanthene-1-carboxylic acid;hydroxide

sodium;9H-xanthene-1-carboxylic acid;hydroxide (PubChem CID 67636026) has the molecular formula C14H11NaO4 and a molecular weight of 266.23 g/mol. Its IUPAC name is sodium;9H-xanthene-1-carboxylic acid;hydroxide.

Molecular Properties

Compound Namesodium;9H-xanthene-1-carboxylic acid;hydroxide
PubChem CID67636026
Molecular FormulaC14H11NaO4
Molecular Weight266.23 g/mol
Exact Mass266.06
IUPAC Namesodium;9H-xanthene-1-carboxylic acid;hydroxide
SMILESO=C(O)c1cccc2c1Cc1ccccc1O2.[Na+].[OH-]
InChIInChI=1S/C14H10O3.Na.H2O/c15-14(16)10-5-3-7-13-11(10)8-9-4-1-2-6-12(9)17-13;;/h1-7H,8H2,(H,15,16);;1H2/q;+1;/p-1
InChIKeyFYXOCHPWUUYWKL-UHFFFAOYSA-M
XLogP-0.09
TPSA76.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sodium;9H-xanthene-1-carboxylic acid;hydroxide?
The IUPAC name of sodium;9H-xanthene-1-carboxylic acid;hydroxide (CID 67636026) is sodium;9H-xanthene-1-carboxylic acid;hydroxide.
What is the SMILES notation for sodium;9H-xanthene-1-carboxylic acid;hydroxide?
The canonical SMILES for sodium;9H-xanthene-1-carboxylic acid;hydroxide is O=C(O)c1cccc2c1Cc1ccccc1O2.[Na+].[OH-].
What is the InChIKey of sodium;9H-xanthene-1-carboxylic acid;hydroxide?
The InChIKey is FYXOCHPWUUYWKL-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H10O3.Na.H2O/c15-14(16)10-5-3-7-13-11(10)8-9-4-1-2-6-12(9)17-13;;/h1-7H,8H2,(H,15,16);;1H2/q;+1;/p-1.
What are the key properties of sodium;9H-xanthene-1-carboxylic acid;hydroxide?
sodium;9H-xanthene-1-carboxylic acid;hydroxide has a molecular weight of 266.23 g/mol, XLogP of -0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;9H-xanthene-1-carboxylic acid;hydroxide is sourced from PubChem (CID 67636026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).