CID 87773794

C4H8NaO2 — CID 87773794

IUPAC—
SMILESCCC(=O)OC.[Na]
InChIInChI=1S/C4H8O2.Na/c1-3-4(5)6-2;/h3H2,1-2H3;
InChIKeyQWLSIYKWCNTFCL-UHFFFAOYSA-N
MW111.10 g/mol
LogP0.19
Rot. Bonds1

About CID 87773794

CID 87773794 (PubChem CID 87773794) has the molecular formula C4H8NaO2 and a molecular weight of 111.10 g/mol.

Molecular Properties

Compound NameCID 87773794
PubChem CID87773794
Molecular FormulaC4H8NaO2
Molecular Weight111.10 g/mol
Exact Mass111.04
IUPAC Name—
SMILESCCC(=O)OC.[Na]
InChIInChI=1S/C4H8O2.Na/c1-3-4(5)6-2;/h3H2,1-2H3;
InChIKeyQWLSIYKWCNTFCL-UHFFFAOYSA-N
XLogP0.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.10
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 87773794?
The IUPAC name of CID 87773794 (CID 87773794) is not available.
What is the SMILES notation for CID 87773794?
The canonical SMILES for CID 87773794 is CCC(=O)OC.[Na].
What is the InChIKey of CID 87773794?
The InChIKey is QWLSIYKWCNTFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.Na/c1-3-4(5)6-2;/h3H2,1-2H3;.
What are the key properties of CID 87773794?
CID 87773794 has a molecular weight of 111.10 g/mol, XLogP of 0.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87773794 is sourced from PubChem (CID 87773794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).