boric acid

H33B11O33 — CID 173080807

IUPACboric acid
SMILESOB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O
InChIInChI=1S/11BH3O3/c11*2-1(3)4/h11*2-4H
InChIKeyYIYGQOXMYRDTCT-UHFFFAOYSA-N
MW680.16 g/mol
LogP-22.57
Rot. Bonds

About boric acid

boric acid (PubChem CID 173080807) has the molecular formula H33B11O33 and a molecular weight of 680.16 g/mol. Its IUPAC name is boric acid.

Molecular Properties

Compound Nameboric acid
PubChem CID173080807
Molecular FormulaH33B11O33
Molecular Weight680.16 g/mol
Exact Mass682.19
IUPAC Nameboric acid
SMILESOB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O
InChIInChI=1S/11BH3O3/c11*2-1(3)4/h11*2-4H
InChIKeyYIYGQOXMYRDTCT-UHFFFAOYSA-N
XLogP-22.57
TPSA667.59 Ų
H-Bond Donors33
H-Bond Acceptors33
Rotatable Bonds
Heavy Atoms44
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500680.16
LogP ≤ 5-22.57
H-Bond Donors ≤ 533
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

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

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Related Compounds

CID 173113715
CID 173113715
boric acid;gold
CID 57461570
boric acid;sulfane
CID 173015947
CID 175866871
CID 175866871
boric acid;scandium
CID 173028800
boric acid;dihydrochloride
CID 159252870
azane;boric acid
CID 173195173
actinium;boric acid
CID 20708500
boric acid;pentahydrate
CID 139908945
CID 57450941
CID 57450941
boric acid;copper
CID 173032296
CID 57449281
CID 57449281

Frequently Asked Questions

What is the IUPAC name of boric acid?
The IUPAC name of boric acid (CID 173080807) is boric acid.
What is the SMILES notation for boric acid?
The canonical SMILES for boric acid is OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.
What is the InChIKey of boric acid?
The InChIKey is YIYGQOXMYRDTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/11BH3O3/c11*2-1(3)4/h11*2-4H.
What are the key properties of boric acid?
boric acid has a molecular weight of 680.16 g/mol, XLogP of -22.57, 0 rotatable bonds, 33 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid is sourced from PubChem (CID 173080807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).