CID 175508289

C2H4BNaO3 — CID 175508289

IUPAC—
SMILES[B]OC(=O)CO.[H-].[Na+]
InChIInChI=1S/C2H3BO3.Na.H/c3-6-2(5)1-4;;/h4H,1H2;;/q;+1;-1
InChIKeyUBVKWPDGIKKBEM-UHFFFAOYSA-N
MW109.85 g/mol
LogP-4.28
Rot. Bonds1

About CID 175508289

CID 175508289 (PubChem CID 175508289) has the molecular formula C2H4BNaO3 and a molecular weight of 109.85 g/mol.

Molecular Properties

Compound NameCID 175508289
PubChem CID175508289
Molecular FormulaC2H4BNaO3
Molecular Weight109.85 g/mol
Exact Mass110.02
IUPAC Name—
SMILES[B]OC(=O)CO.[H-].[Na+]
InChIInChI=1S/C2H3BO3.Na.H/c3-6-2(5)1-4;;/h4H,1H2;;/q;+1;-1
InChIKeyUBVKWPDGIKKBEM-UHFFFAOYSA-N
XLogP-4.28
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.85
LogP ≤ 5-4.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

CID 57023561
CID 57023561
disodium;hydride;2-(2-hydroxyacetyl)oxyacetic acid
CID 173165496
[(2-hydroxyacetyl)oxyamino]azanium
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silyl 2-hydroxyacetate
CID 123398347
(2-hydroxyacetyl)oxymethyl 2-hydroxyacetate;methane
CID 161332645
stibanyl 2-hydroxyacetate
CID 174289017
phosphanyl 2-hydroxyacetate
CID 58716328
barium(2+);ethyl 2-hydroxyacetate;hydride
CID 173419911
calcium;hydride;methyl 2-hydroxyethaneperoxoate
CID 175527433
potassium;ethyl 2-hydroxyacetate;hydride
CID 174939573
bicyclo[2.2.0]hexa-1,3,5-triene;2-hydroxyethaneperoxoic acid
CID 174597340
trimethylsilylmethyl 2-hydroxyacetate
CID 58637933

Frequently Asked Questions

What is the IUPAC name of CID 175508289?
The IUPAC name of CID 175508289 (CID 175508289) is not available.
What is the SMILES notation for CID 175508289?
The canonical SMILES for CID 175508289 is [B]OC(=O)CO.[H-].[Na+].
What is the InChIKey of CID 175508289?
The InChIKey is UBVKWPDGIKKBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3BO3.Na.H/c3-6-2(5)1-4;;/h4H,1H2;;/q;+1;-1.
What are the key properties of CID 175508289?
CID 175508289 has a molecular weight of 109.85 g/mol, XLogP of -4.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175508289 is sourced from PubChem (CID 175508289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).