CID 172765682

C3H8KNaO3 — CID 172765682

IUPAC—
SMILESOCC(O)CO.[K].[Na]
InChIInChI=1S/C3H8O3.K.Na/c4-1-3(6)2-5;;/h3-6H,1-2H2;;
InChIKeyMGXBARNOAYYRIK-UHFFFAOYSA-N
MW154.18 g/mol
LogP-2.43
Rot. Bonds2

About CID 172765682

CID 172765682 (PubChem CID 172765682) has the molecular formula C3H8KNaO3 and a molecular weight of 154.18 g/mol.

Molecular Properties

Compound NameCID 172765682
PubChem CID172765682
Molecular FormulaC3H8KNaO3
Molecular Weight154.18 g/mol
Exact Mass154.00
IUPAC Name—
SMILESOCC(O)CO.[K].[Na]
InChIInChI=1S/C3H8O3.K.Na/c4-1-3(6)2-5;;/h3-6H,1-2H2;;
InChIKeyMGXBARNOAYYRIK-UHFFFAOYSA-N
XLogP-2.43
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.18
LogP ≤ 5-2.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 172765682?
The IUPAC name of CID 172765682 (CID 172765682) is not available.
What is the SMILES notation for CID 172765682?
The canonical SMILES for CID 172765682 is OCC(O)CO.[K].[Na].
What is the InChIKey of CID 172765682?
The InChIKey is MGXBARNOAYYRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O3.K.Na/c4-1-3(6)2-5;;/h3-6H,1-2H2;;.
What are the key properties of CID 172765682?
CID 172765682 has a molecular weight of 154.18 g/mol, XLogP of -2.43, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172765682 is sourced from PubChem (CID 172765682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).