CID 159177716

C8H8KNaO3 — CID 159177716

IUPAC—
SMILESCOC(=O)c1ccc(O)cc1.[K].[Na]
InChIInChI=1S/C8H8O3.K.Na/c1-11-8(10)6-2-4-7(9)5-3-6;;/h2-5,9H,1H3;;
InChIKeyKMMKNSWJZMZIQO-UHFFFAOYSA-N
MW214.24 g/mol
LogP0.42
Rot. Bonds1

About CID 159177716

CID 159177716 (PubChem CID 159177716) has the molecular formula C8H8KNaO3 and a molecular weight of 214.24 g/mol.

Molecular Properties

Compound NameCID 159177716
PubChem CID159177716
Molecular FormulaC8H8KNaO3
Molecular Weight214.24 g/mol
Exact Mass214.00
IUPAC Name—
SMILESCOC(=O)c1ccc(O)cc1.[K].[Na]
InChIInChI=1S/C8H8O3.K.Na/c1-11-8(10)6-2-4-7(9)5-3-6;;/h2-5,9H,1H3;;
InChIKeyKMMKNSWJZMZIQO-UHFFFAOYSA-N
XLogP0.42
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 159177716?
The IUPAC name of CID 159177716 (CID 159177716) is not available.
What is the SMILES notation for CID 159177716?
The canonical SMILES for CID 159177716 is COC(=O)c1ccc(O)cc1.[K].[Na].
What is the InChIKey of CID 159177716?
The InChIKey is KMMKNSWJZMZIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3.K.Na/c1-11-8(10)6-2-4-7(9)5-3-6;;/h2-5,9H,1H3;;.
What are the key properties of CID 159177716?
CID 159177716 has a molecular weight of 214.24 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159177716 is sourced from PubChem (CID 159177716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).