(3-amino-4-hydroxyphenyl)arsonic acid

C6H8AsNO4 — CID 16555

IUPAC(3-amino-4-hydroxyphenyl)arsonic acid
SMILESNc1cc([As](=O)(O)O)ccc1O
InChIInChI=1S/C6H8AsNO4/c8-5-3-4(7(10,11)12)1-2-6(5)9/h1-3,9H,8H2,(H2,10,11,12)
InChIKeyUAKCHCFOPKOOLI-UHFFFAOYSA-N
MW233.05 g/mol
LogP-1.46
Rot. Bonds1

About (3-amino-4-hydroxyphenyl)arsonic acid

(3-amino-4-hydroxyphenyl)arsonic acid (PubChem CID 16555) has the molecular formula C6H8AsNO4 and a molecular weight of 233.05 g/mol. Its IUPAC name is (3-amino-4-hydroxyphenyl)arsonic acid.

Molecular Properties

Compound Name(3-amino-4-hydroxyphenyl)arsonic acid
PubChem CID16555
Molecular FormulaC6H8AsNO4
Molecular Weight233.05 g/mol
Exact Mass232.97
IUPAC Name(3-amino-4-hydroxyphenyl)arsonic acid
SMILESNc1cc([As](=O)(O)O)ccc1O
InChIInChI=1S/C6H8AsNO4/c8-5-3-4(7(10,11)12)1-2-6(5)9/h1-3,9H,8H2,(H2,10,11,12)
InChIKeyUAKCHCFOPKOOLI-UHFFFAOYSA-N
XLogP-1.46
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.05
LogP ≤ 5-1.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-amino-4-hydroxyphenyl)arsonic acid?
The IUPAC name of (3-amino-4-hydroxyphenyl)arsonic acid (CID 16555) is (3-amino-4-hydroxyphenyl)arsonic acid.
What is the SMILES notation for (3-amino-4-hydroxyphenyl)arsonic acid?
The canonical SMILES for (3-amino-4-hydroxyphenyl)arsonic acid is Nc1cc([As](=O)(O)O)ccc1O.
What is the InChIKey of (3-amino-4-hydroxyphenyl)arsonic acid?
The InChIKey is UAKCHCFOPKOOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8AsNO4/c8-5-3-4(7(10,11)12)1-2-6(5)9/h1-3,9H,8H2,(H2,10,11,12).
What are the key properties of (3-amino-4-hydroxyphenyl)arsonic acid?
(3-amino-4-hydroxyphenyl)arsonic acid has a molecular weight of 233.05 g/mol, XLogP of -1.46, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-hydroxyphenyl)arsonic acid is sourced from PubChem (CID 16555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).