CID 69256301

C11H8NaO3 — CID 69256301

IUPAC—
SMILESO=C(O)c1cc2ccccc2cc1O.[Na]
InChIInChI=1S/C11H8O3.Na/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14;/h1-6,12H,(H,13,14);
InChIKeyQHBWFMCAOZZWRK-UHFFFAOYSA-N
MW211.17 g/mol
LogP1.86
Rot. Bonds1

About CID 69256301

CID 69256301 (PubChem CID 69256301) has the molecular formula C11H8NaO3 and a molecular weight of 211.17 g/mol.

Molecular Properties

Compound NameCID 69256301
PubChem CID69256301
Molecular FormulaC11H8NaO3
Molecular Weight211.17 g/mol
Exact Mass211.04
IUPAC Name—
SMILESO=C(O)c1cc2ccccc2cc1O.[Na]
InChIInChI=1S/C11H8O3.Na/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14;/h1-6,12H,(H,13,14);
InChIKeyQHBWFMCAOZZWRK-UHFFFAOYSA-N
XLogP1.86
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.17
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 59994174
CID 59994174
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CID 142855010
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CID 53226801
3-carboniodidoylnaphthalene-2-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of CID 69256301?
The IUPAC name of CID 69256301 (CID 69256301) is not available.
What is the SMILES notation for CID 69256301?
The canonical SMILES for CID 69256301 is O=C(O)c1cc2ccccc2cc1O.[Na].
What is the InChIKey of CID 69256301?
The InChIKey is QHBWFMCAOZZWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O3.Na/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14;/h1-6,12H,(H,13,14);.
What are the key properties of CID 69256301?
CID 69256301 has a molecular weight of 211.17 g/mol, XLogP of 1.86, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 69256301 is sourced from PubChem (CID 69256301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).