Boric acid
H3BO3 — CID 7628
View drug profile → boric acidData last refreshed: (MolForge compound catalog, from PubChem)
IUPACboric acid
SMILESOB(O)O
InChIInChI=1S/BH3O3/c2-1(3)4/h2-4H
InChIKeyKGBXLFKZBHKPEV-UHFFFAOYSA-N
MW61.83 g/mol
LogP-2.05
Rot. Bonds
About Boric acid
Boric acid (PubChem CID 7628) has the molecular formula H3BO3 and a molecular weight of 61.83 g/mol. Its IUPAC name is boric acid.
Molecular Properties
| Compound Name | Boric acid |
|---|---|
| PubChem CID | 7628 |
| Molecular Formula | H3BO3 |
| Molecular Weight | 61.83 g/mol |
| Exact Mass | 62.02 |
| IUPAC Name | boric acid |
| SMILES | OB(O)O |
| InChI | InChI=1S/BH3O3/c2-1(3)4/h2-4H |
| InChIKey | KGBXLFKZBHKPEV-UHFFFAOYSA-N |
| XLogP | -2.05 |
| TPSA | 60.69 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | |
| Heavy Atoms | 4 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 61.83 |
| LogP ≤ 5 | -2.05 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
|---|
Related Compounds
Frequently Asked Questions
What is the IUPAC name of Boric acid?
The IUPAC name of Boric acid (CID 7628) is boric acid.
What is the SMILES notation for Boric acid?
The canonical SMILES for Boric acid is OB(O)O.
What is the InChIKey of Boric acid?
The InChIKey is KGBXLFKZBHKPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/BH3O3/c2-1(3)4/h2-4H.
What are the key properties of Boric acid?
Boric acid has a molecular weight of 61.83 g/mol, XLogP of -2.05, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Boric acid is sourced from PubChem (CID 7628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
Browse: Molecules: B · all molecules A–Z · drugs A–Z · protein targets A–Z.
Sources
- PubChem CID 7628 — identifiers, structure, computed properties (public domain)
- DrugCentral drug card 3035 — approved-drug record (CC BY-SA 4.0)
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