CID 131876272

C3H6KO3 — CID 131876272

IUPAC—
SMILESCCOC(=O)O.[K]
InChIInChI=1S/C3H6O3.K/c1-2-6-3(4)5;/h2H2,1H3,(H,4,5);
InChIKeyIOPVRXOZJQUSLB-UHFFFAOYSA-N
MW129.18 g/mol
LogP0.32
Rot. Bonds1

About CID 131876272

CID 131876272 (PubChem CID 131876272) has the molecular formula C3H6KO3 and a molecular weight of 129.18 g/mol.

Molecular Properties

Compound NameCID 131876272
PubChem CID131876272
Molecular FormulaC3H6KO3
Molecular Weight129.18 g/mol
Exact Mass129.00
IUPAC Name—
SMILESCCOC(=O)O.[K]
InChIInChI=1S/C3H6O3.K/c1-2-6-3(4)5;/h2H2,1H3,(H,4,5);
InChIKeyIOPVRXOZJQUSLB-UHFFFAOYSA-N
XLogP0.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 131876272?
The IUPAC name of CID 131876272 (CID 131876272) is not available.
What is the SMILES notation for CID 131876272?
The canonical SMILES for CID 131876272 is CCOC(=O)O.[K].
What is the InChIKey of CID 131876272?
The InChIKey is IOPVRXOZJQUSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O3.K/c1-2-6-3(4)5;/h2H2,1H3,(H,4,5);.
What are the key properties of CID 131876272?
CID 131876272 has a molecular weight of 129.18 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 131876272 is sourced from PubChem (CID 131876272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).