CID 158929584

C3H10NaO3 — CID 158929584

IUPAC—
SMILESCC(O)CO.O.[Na]
InChIInChI=1S/C3H8O2.Na.H2O/c1-3(5)2-4;;/h3-5H,2H2,1H3;;1H2
InChIKeyJIWMYJBKGWVNPV-UHFFFAOYSA-N
MW117.10 g/mol
LogP-1.85
Rot. Bonds1

About CID 158929584

CID 158929584 (PubChem CID 158929584) has the molecular formula C3H10NaO3 and a molecular weight of 117.10 g/mol.

Molecular Properties

Compound NameCID 158929584
PubChem CID158929584
Molecular FormulaC3H10NaO3
Molecular Weight117.10 g/mol
Exact Mass117.05
IUPAC Name—
SMILESCC(O)CO.O.[Na]
InChIInChI=1S/C3H8O2.Na.H2O/c1-3(5)2-4;;/h3-5H,2H2,1H3;;1H2
InChIKeyJIWMYJBKGWVNPV-UHFFFAOYSA-N
XLogP-1.85
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.10
LogP ≤ 5-1.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 159626759
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CID 175455323
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CID 87205903
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Frequently Asked Questions

What is the IUPAC name of CID 158929584?
The IUPAC name of CID 158929584 (CID 158929584) is not available.
What is the SMILES notation for CID 158929584?
The canonical SMILES for CID 158929584 is CC(O)CO.O.[Na].
What is the InChIKey of CID 158929584?
The InChIKey is JIWMYJBKGWVNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O2.Na.H2O/c1-3(5)2-4;;/h3-5H,2H2,1H3;;1H2.
What are the key properties of CID 158929584?
CID 158929584 has a molecular weight of 117.10 g/mol, XLogP of -1.85, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158929584 is sourced from PubChem (CID 158929584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).