hydroperoxyboronic acid

H9B3O12 — CID 173303376

IUPAChydroperoxyboronic acid
SMILESOOB(O)O.OOB(O)O.OOB(O)O
InChIInChI=1S/3BH3O4/c3*2-1(3)5-4/h3*2-4H
InChIKeyLPYMCQGHUUUDJM-UHFFFAOYSA-N
MW233.50 g/mol
LogP-4.66
Rot. Bonds3

About hydroperoxyboronic acid

hydroperoxyboronic acid (PubChem CID 173303376) has the molecular formula H9B3O12 and a molecular weight of 233.50 g/mol. Its IUPAC name is hydroperoxyboronic acid.

Molecular Properties

Compound Namehydroperoxyboronic acid
PubChem CID173303376
Molecular FormulaH9B3O12
Molecular Weight233.50 g/mol
Exact Mass234.04
IUPAC Namehydroperoxyboronic acid
SMILESOOB(O)O.OOB(O)O.OOB(O)O
InChIInChI=1S/3BH3O4/c3*2-1(3)5-4/h3*2-4H
InChIKeyLPYMCQGHUUUDJM-UHFFFAOYSA-N
XLogP-4.66
TPSA209.76 Ų
H-Bond Donors9
H-Bond Acceptors12
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500233.50
LogP ≤ 5-4.66
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

Magnesium perborate heptahydrate
CID 91617882
Oxidanium;boric acid;tetrahydroxyboranuide
CID 160978427
Hydroperoxy(oxo)borane;molecular hydrogen;oxoboranylboronic acid;tetrahydrate
CID 160999940
CID 164180204
CID 164180204
Dihydroperoxyboranyl dihydroxy borate
CID 172840470
Boric acid;trihydrate
CID 172862463
Hydroperoxyboronic acid;tetrahydrate
CID 173000445
Hydroperoxyboronic acid;hexahydrate
CID 173105296
Hydroperoxyboronic acid;pentahydrate
CID 173203101
Hydroperoxyboronic acid
CID 173280706

Frequently Asked Questions

What is the IUPAC name of hydroperoxyboronic acid?
The IUPAC name of hydroperoxyboronic acid (CID 173303376) is hydroperoxyboronic acid.
What is the SMILES notation for hydroperoxyboronic acid?
The canonical SMILES for hydroperoxyboronic acid is OOB(O)O.OOB(O)O.OOB(O)O.
What is the InChIKey of hydroperoxyboronic acid?
The InChIKey is LPYMCQGHUUUDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/3BH3O4/c3*2-1(3)5-4/h3*2-4H.
What are the key properties of hydroperoxyboronic acid?
hydroperoxyboronic acid has a molecular weight of 233.50 g/mol, XLogP of -4.66, 3 rotatable bonds, 9 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for hydroperoxyboronic acid is sourced from PubChem (CID 173303376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).