1-bicyclo[2.2.1]heptanyloxyarsinic acid

C7H13AsO3 — CID 154427418

IUPAC1-bicyclo[2.2.1]heptanyloxyarsinic acid
SMILESO=[AsH](O)OC12CCC(CC1)C2
InChIInChI=1S/C7H13AsO3/c9-8(10)11-7-3-1-6(5-7)2-4-7/h6,8H,1-5H2,(H,9,10)
InChIKeyJDYOLVOHRNGXKT-UHFFFAOYSA-N
MW220.10 g/mol
LogP0.48
Rot. Bonds2

About 1-bicyclo[2.2.1]heptanyloxyarsinic acid

1-bicyclo[2.2.1]heptanyloxyarsinic acid (PubChem CID 154427418) has the molecular formula C7H13AsO3 and a molecular weight of 220.10 g/mol. Its IUPAC name is 1-bicyclo[2.2.1]heptanyloxyarsinic acid.

Molecular Properties

Compound Name1-bicyclo[2.2.1]heptanyloxyarsinic acid
PubChem CID154427418
Molecular FormulaC7H13AsO3
Molecular Weight220.10 g/mol
Exact Mass220.01
IUPAC Name1-bicyclo[2.2.1]heptanyloxyarsinic acid
SMILESO=[AsH](O)OC12CCC(CC1)C2
InChIInChI=1S/C7H13AsO3/c9-8(10)11-7-3-1-6(5-7)2-4-7/h6,8H,1-5H2,(H,9,10)
InChIKeyJDYOLVOHRNGXKT-UHFFFAOYSA-N
XLogP0.48
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.10
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-bicyclo[2.2.1]heptanyloxyarsinic acid?
The IUPAC name of 1-bicyclo[2.2.1]heptanyloxyarsinic acid (CID 154427418) is 1-bicyclo[2.2.1]heptanyloxyarsinic acid.
What is the SMILES notation for 1-bicyclo[2.2.1]heptanyloxyarsinic acid?
The canonical SMILES for 1-bicyclo[2.2.1]heptanyloxyarsinic acid is O=[AsH](O)OC12CCC(CC1)C2.
What is the InChIKey of 1-bicyclo[2.2.1]heptanyloxyarsinic acid?
The InChIKey is JDYOLVOHRNGXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13AsO3/c9-8(10)11-7-3-1-6(5-7)2-4-7/h6,8H,1-5H2,(H,9,10).
What are the key properties of 1-bicyclo[2.2.1]heptanyloxyarsinic acid?
1-bicyclo[2.2.1]heptanyloxyarsinic acid has a molecular weight of 220.10 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bicyclo[2.2.1]heptanyloxyarsinic acid is sourced from PubChem (CID 154427418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).