CID 175964810

C4H8NaO2 — CID 175964810

IUPAC—
SMILESCCC=C(O)O.[Na]
InChIInChI=1S/C4H8O2.Na/c1-2-3-4(5)6;/h3,5-6H,2H2,1H3;
InChIKeySMNZZHBZZZOASI-UHFFFAOYSA-N
MW111.10 g/mol
LogP0.97
Rot. Bonds1

About CID 175964810

CID 175964810 (PubChem CID 175964810) has the molecular formula C4H8NaO2 and a molecular weight of 111.10 g/mol.

Molecular Properties

Compound NameCID 175964810
PubChem CID175964810
Molecular FormulaC4H8NaO2
Molecular Weight111.10 g/mol
Exact Mass111.04
IUPAC Name—
SMILESCCC=C(O)O.[Na]
InChIInChI=1S/C4H8O2.Na/c1-2-3-4(5)6;/h3,5-6H,2H2,1H3;
InChIKeySMNZZHBZZZOASI-UHFFFAOYSA-N
XLogP0.97
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.10
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 175964810?
The IUPAC name of CID 175964810 (CID 175964810) is not available.
What is the SMILES notation for CID 175964810?
The canonical SMILES for CID 175964810 is CCC=C(O)O.[Na].
What is the InChIKey of CID 175964810?
The InChIKey is SMNZZHBZZZOASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.Na/c1-2-3-4(5)6;/h3,5-6H,2H2,1H3;.
What are the key properties of CID 175964810?
CID 175964810 has a molecular weight of 111.10 g/mol, XLogP of 0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175964810 is sourced from PubChem (CID 175964810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).