potassium;boric acid;methylbenzene

C7H10BKO3 — CID 159556662

IUPACpotassium;boric acid;methylbenzene
SMILESCc1cc[c-]cc1.OB(O)O.[K+]
InChIInChI=1S/C7H7.BH3O3.K/c1-7-5-3-2-4-6-7;2-1(3)4;/h3-6H,1H3;2-4H;/q-1;;+1
InChIKeyZTJZFYPFZPBVMB-UHFFFAOYSA-N
MW192.06 g/mol
LogP-3.25
Rot. Bonds

About potassium;boric acid;methylbenzene

potassium;boric acid;methylbenzene (PubChem CID 159556662) has the molecular formula C7H10BKO3 and a molecular weight of 192.06 g/mol. Its IUPAC name is potassium;boric acid;methylbenzene.

Molecular Properties

Compound Namepotassium;boric acid;methylbenzene
PubChem CID159556662
Molecular FormulaC7H10BKO3
Molecular Weight192.06 g/mol
Exact Mass192.04
IUPAC Namepotassium;boric acid;methylbenzene
SMILESCc1cc[c-]cc1.OB(O)O.[K+]
InChIInChI=1S/C7H7.BH3O3.K/c1-7-5-3-2-4-6-7;2-1(3)4;/h3-6H,1H3;2-4H;/q-1;;+1
InChIKeyZTJZFYPFZPBVMB-UHFFFAOYSA-N
XLogP-3.25
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.06
LogP ≤ 5-3.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium;boric acid;methylbenzene?
The IUPAC name of potassium;boric acid;methylbenzene (CID 159556662) is potassium;boric acid;methylbenzene.
What is the SMILES notation for potassium;boric acid;methylbenzene?
The canonical SMILES for potassium;boric acid;methylbenzene is Cc1cc[c-]cc1.OB(O)O.[K+].
What is the InChIKey of potassium;boric acid;methylbenzene?
The InChIKey is ZTJZFYPFZPBVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7.BH3O3.K/c1-7-5-3-2-4-6-7;2-1(3)4;/h3-6H,1H3;2-4H;/q-1;;+1.
What are the key properties of potassium;boric acid;methylbenzene?
potassium;boric acid;methylbenzene has a molecular weight of 192.06 g/mol, XLogP of -3.25, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;boric acid;methylbenzene is sourced from PubChem (CID 159556662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).