boric acid;trihydrate

H12B2O9 — CID 172862463

IUPACboric acid;trihydrate
SMILESO.O.O.OB(O)O.OB(O)O
InChIInChI=1S/2BH3O3.3H2O/c2*2-1(3)4;;;/h2*2-4H;3*1H2
InChIKeyZNQSOXIUYUBQIC-UHFFFAOYSA-N
MW177.71 g/mol
LogP-6.58
Rot. Bonds

About boric acid;trihydrate

boric acid;trihydrate (PubChem CID 172862463) has the molecular formula H12B2O9 and a molecular weight of 177.71 g/mol. Its IUPAC name is boric acid;trihydrate.

Molecular Properties

Compound Nameboric acid;trihydrate
PubChem CID172862463
Molecular FormulaH12B2O9
Molecular Weight177.71 g/mol
Exact Mass178.07
IUPAC Nameboric acid;trihydrate
SMILESO.O.O.OB(O)O.OB(O)O
InChIInChI=1S/2BH3O3.3H2O/c2*2-1(3)4;;;/h2*2-4H;3*1H2
InChIKeyZNQSOXIUYUBQIC-UHFFFAOYSA-N
XLogP-6.58
TPSA215.88 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500177.71
LogP ≤ 5-6.58
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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 boric acid;trihydrate?
The IUPAC name of boric acid;trihydrate (CID 172862463) is boric acid;trihydrate.
What is the SMILES notation for boric acid;trihydrate?
The canonical SMILES for boric acid;trihydrate is O.O.O.OB(O)O.OB(O)O.
What is the InChIKey of boric acid;trihydrate?
The InChIKey is ZNQSOXIUYUBQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/2BH3O3.3H2O/c2*2-1(3)4;;;/h2*2-4H;3*1H2.
What are the key properties of boric acid;trihydrate?
boric acid;trihydrate has a molecular weight of 177.71 g/mol, XLogP of -6.58, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;trihydrate is sourced from PubChem (CID 172862463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).