lithium;boric acid;dihydrogen borate

H11B4LiO12 — CID 172814782

IUPAClithium;boric acid;dihydrogen borate
SMILESOB(O)O.OB(O)O.OB(O)O.[Li+].[O-]B(O)O
InChIInChI=1S/3BH3O3.BH2O3.Li/c4*2-1(3)4;/h3*2-4H;2-3H;/q;;;-1;+1
InChIKeySQZGTRFFZYFLFB-UHFFFAOYSA-N
MW253.27 g/mol
LogP-11.84
Rot. Bonds

About lithium;boric acid;dihydrogen borate

lithium;boric acid;dihydrogen borate (PubChem CID 172814782) has the molecular formula H11B4LiO12 and a molecular weight of 253.27 g/mol. Its IUPAC name is lithium;boric acid;dihydrogen borate.

Molecular Properties

Compound Namelithium;boric acid;dihydrogen borate
PubChem CID172814782
Molecular FormulaH11B4LiO12
Molecular Weight253.27 g/mol
Exact Mass254.08
IUPAC Namelithium;boric acid;dihydrogen borate
SMILESOB(O)O.OB(O)O.OB(O)O.[Li+].[O-]B(O)O
InChIInChI=1S/3BH3O3.BH2O3.Li/c4*2-1(3)4;/h3*2-4H;2-3H;/q;;;-1;+1
InChIKeySQZGTRFFZYFLFB-UHFFFAOYSA-N
XLogP-11.84
TPSA245.59 Ų
H-Bond Donors11
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500253.27
LogP ≤ 5-11.84
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1012

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 lithium;boric acid;dihydrogen borate?
The IUPAC name of lithium;boric acid;dihydrogen borate (CID 172814782) is lithium;boric acid;dihydrogen borate.
What is the SMILES notation for lithium;boric acid;dihydrogen borate?
The canonical SMILES for lithium;boric acid;dihydrogen borate is OB(O)O.OB(O)O.OB(O)O.[Li+].[O-]B(O)O.
What is the InChIKey of lithium;boric acid;dihydrogen borate?
The InChIKey is SQZGTRFFZYFLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/3BH3O3.BH2O3.Li/c4*2-1(3)4;/h3*2-4H;2-3H;/q;;;-1;+1.
What are the key properties of lithium;boric acid;dihydrogen borate?
lithium;boric acid;dihydrogen borate has a molecular weight of 253.27 g/mol, XLogP of -11.84, 0 rotatable bonds, 11 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;boric acid;dihydrogen borate is sourced from PubChem (CID 172814782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).