CID 158871362

C3H4NaO3 — CID 158871362

IUPAC—
SMILESO=C(O)C1CO1.[Na]
InChIInChI=1S/C3H4O3.Na/c4-3(5)2-1-6-2;/h2H,1H2,(H,4,5);
InChIKeyJBWRKRBSEFYJMB-UHFFFAOYSA-N
MW111.05 g/mol
LogP-0.91
Rot. Bonds1

About CID 158871362

CID 158871362 (PubChem CID 158871362) has the molecular formula C3H4NaO3 and a molecular weight of 111.05 g/mol.

Molecular Properties

Compound NameCID 158871362
PubChem CID158871362
Molecular FormulaC3H4NaO3
Molecular Weight111.05 g/mol
Exact Mass111.01
IUPAC Name—
SMILESO=C(O)C1CO1.[Na]
InChIInChI=1S/C3H4O3.Na/c4-3(5)2-1-6-2;/h2H,1H2,(H,4,5);
InChIKeyJBWRKRBSEFYJMB-UHFFFAOYSA-N
XLogP-0.91
TPSA49.83 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.05
LogP ≤ 5-0.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

dipotassium;oxirane-2-carboxylic acid;dihydroxide
CID 174960947
5-oxo-1,4-dioxane-2-carboxylic acid
CID 84649079
(2S,4R)-2-(hydroxymethyl)-1,3-dioxolane-4-carboxylic acid
CID 177185447
(2R,5S)-5-phenyl-1,4-dioxane-2-carboxylic acid
CID 53350289
(2S,4S)-4-methyloxolane-2-carboxylic acid
CID 140739346
(2R,4R)-4-hydroxyoxolane-2-carboxylic acid
CID 13314189
carbonic acid;oxirane-2-carboxamide
CID 87800333
(3R,4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxine-3-carboxylic acid
CID 68999663
(2R,5S)-oxolane-2,5-dicarboxylic acid
CID 12667635
(2R)-oxirane-2-carbonyl chloride
CID 89298336
oxiran-2-yl(silyl)methanone
CID 123892930
2-(2-methylpropyl)-1,3-dioxolane-4-carboxylic acid
CID 115094695

Frequently Asked Questions

What is the IUPAC name of CID 158871362?
The IUPAC name of CID 158871362 (CID 158871362) is not available.
What is the SMILES notation for CID 158871362?
The canonical SMILES for CID 158871362 is O=C(O)C1CO1.[Na].
What is the InChIKey of CID 158871362?
The InChIKey is JBWRKRBSEFYJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O3.Na/c4-3(5)2-1-6-2;/h2H,1H2,(H,4,5);.
What are the key properties of CID 158871362?
CID 158871362 has a molecular weight of 111.05 g/mol, XLogP of -0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158871362 is sourced from PubChem (CID 158871362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).