sodium;dihydrogen borate;hydrate

H4BNaO4 — CID 131674097

IUPACsodium;dihydrogen borate;hydrate
SMILESO.[Na+].[O-]B(O)O
InChIInChI=1S/BH2O3.Na.H2O/c2-1(3)4;;/h2-3H;;1H2/q-1;+1;
InChIKeyROTJXNFTKBUGIS-UHFFFAOYSA-N
MW101.83 g/mol
LogP-6.50
Rot. Bonds

About sodium;dihydrogen borate;hydrate

sodium;dihydrogen borate;hydrate (PubChem CID 131674097) has the molecular formula H4BNaO4 and a molecular weight of 101.83 g/mol. Its IUPAC name is sodium;dihydrogen borate;hydrate.

Molecular Properties

Compound Namesodium;dihydrogen borate;hydrate
PubChem CID131674097
Molecular FormulaH4BNaO4
Molecular Weight101.83 g/mol
Exact Mass102.01
IUPAC Namesodium;dihydrogen borate;hydrate
SMILESO.[Na+].[O-]B(O)O
InChIInChI=1S/BH2O3.Na.H2O/c2-1(3)4;;/h2-3H;;1H2/q-1;+1;
InChIKeyROTJXNFTKBUGIS-UHFFFAOYSA-N
XLogP-6.50
TPSA95.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.83
LogP ≤ 5-6.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium;dihydrogen borate;hydrate?
The IUPAC name of sodium;dihydrogen borate;hydrate (CID 131674097) is sodium;dihydrogen borate;hydrate.
What is the SMILES notation for sodium;dihydrogen borate;hydrate?
The canonical SMILES for sodium;dihydrogen borate;hydrate is O.[Na+].[O-]B(O)O.
What is the InChIKey of sodium;dihydrogen borate;hydrate?
The InChIKey is ROTJXNFTKBUGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/BH2O3.Na.H2O/c2-1(3)4;;/h2-3H;;1H2/q-1;+1;.
What are the key properties of sodium;dihydrogen borate;hydrate?
sodium;dihydrogen borate;hydrate has a molecular weight of 101.83 g/mol, XLogP of -6.50, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;dihydrogen borate;hydrate is sourced from PubChem (CID 131674097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).