(3-amino-4-hydroxyphenyl)arsinic acid

C6H8AsNO3 — CID 154083921

IUPAC(3-amino-4-hydroxyphenyl)arsinic acid
SMILESNc1cc([AsH](=O)O)ccc1O
InChIInChI=1S/C6H8AsNO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,7,9H,8H2,(H,10,11)
InChIKeyKRCJWINQZNOCJR-UHFFFAOYSA-N
MW217.06 g/mol
LogP-1.18
Rot. Bonds1

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

(3-amino-4-hydroxyphenyl)arsinic acid (PubChem CID 154083921) has the molecular formula C6H8AsNO3 and a molecular weight of 217.06 g/mol. Its IUPAC name is (3-amino-4-hydroxyphenyl)arsinic acid.

Molecular Properties

Compound Name(3-amino-4-hydroxyphenyl)arsinic acid
PubChem CID154083921
Molecular FormulaC6H8AsNO3
Molecular Weight217.06 g/mol
Exact Mass216.97
IUPAC Name(3-amino-4-hydroxyphenyl)arsinic acid
SMILESNc1cc([AsH](=O)O)ccc1O
InChIInChI=1S/C6H8AsNO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,7,9H,8H2,(H,10,11)
InChIKeyKRCJWINQZNOCJR-UHFFFAOYSA-N
XLogP-1.18
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.06
LogP ≤ 5-1.18
H-Bond Donors ≤ 53
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)arsinic acid?
The IUPAC name of (3-amino-4-hydroxyphenyl)arsinic acid (CID 154083921) is (3-amino-4-hydroxyphenyl)arsinic acid.
What is the SMILES notation for (3-amino-4-hydroxyphenyl)arsinic acid?
The canonical SMILES for (3-amino-4-hydroxyphenyl)arsinic acid is Nc1cc([AsH](=O)O)ccc1O.
What is the InChIKey of (3-amino-4-hydroxyphenyl)arsinic acid?
The InChIKey is KRCJWINQZNOCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8AsNO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,7,9H,8H2,(H,10,11).
What are the key properties of (3-amino-4-hydroxyphenyl)arsinic acid?
(3-amino-4-hydroxyphenyl)arsinic acid has a molecular weight of 217.06 g/mol, XLogP of -1.18, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-hydroxyphenyl)arsinic acid is sourced from PubChem (CID 154083921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).