(3-acetamido-2-hydroxyphenyl)arsonic acid

C8H10AsNO5 — CID 154325288

IUPAC(3-acetamido-2-hydroxyphenyl)arsonic acid
SMILESCC(=O)Nc1cccc([As](=O)(O)O)c1O
InChIInChI=1S/C8H10AsNO5/c1-5(11)10-7-4-2-3-6(8(7)12)9(13,14)15/h2-4,12H,1H3,(H,10,11)(H2,13,14,15)
InChIKeyNHNUFAASKXPOQA-UHFFFAOYSA-N
MW275.09 g/mol
LogP-1.09
Rot. Bonds2

About (3-acetamido-2-hydroxyphenyl)arsonic acid

(3-acetamido-2-hydroxyphenyl)arsonic acid (PubChem CID 154325288) has the molecular formula C8H10AsNO5 and a molecular weight of 275.09 g/mol. Its IUPAC name is (3-acetamido-2-hydroxyphenyl)arsonic acid.

Molecular Properties

Compound Name(3-acetamido-2-hydroxyphenyl)arsonic acid
PubChem CID154325288
Molecular FormulaC8H10AsNO5
Molecular Weight275.09 g/mol
Exact Mass274.98
IUPAC Name(3-acetamido-2-hydroxyphenyl)arsonic acid
SMILESCC(=O)Nc1cccc([As](=O)(O)O)c1O
InChIInChI=1S/C8H10AsNO5/c1-5(11)10-7-4-2-3-6(8(7)12)9(13,14)15/h2-4,12H,1H3,(H,10,11)(H2,13,14,15)
InChIKeyNHNUFAASKXPOQA-UHFFFAOYSA-N
XLogP-1.09
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.09
LogP ≤ 5-1.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-acetamido-2-hydroxyphenyl)arsonic acid;ethyl benzoate
CID 159568651
(3-acetamido-2-hydroxyphenyl)arsonic acid;N,N-dimethyl-4-nitroaniline
CID 174249909
(3-acetamido-2-hydroxyphenyl)arsonic acid;bicyclo[3.1.0]hexa-1(6),2,4-triene;ethyl propanoate
CID 174652510
(3-acetamido-2-hydroxyphenyl)arsonic acid;1-cyclobutyloctan-1-amine;formic acid
CID 174750488
(3-acetamido-2-hydroxyphenyl)arsonic acid;propyl 3-(2-oxocyclopentyl)propanoate
CID 174622348
3-acetamido-2-hydroxybenzamide
CID 66833068
(4-acetamido-2-hydroxy-3-pyridin-3-ylphenyl)arsonic acid
CID 150859576
(2-acetamido-3-hydroxyphenyl)arsonic acid;4-chlorophenol
CID 174437717
N-[3-[(2-acetamidophenyl)diazenyl]-2-hydroxyphenyl]acetamide
CID 541079
(5-acetamido-4-chloro-2-hydroxyphenyl)arsonic acid
CID 174660014
(3-acetamido-5-cyclohexyl-2-hydroxyphenyl)arsonic acid
CID 151097783
(2-acetamido-3-hydroxyphenyl)arsonic acid;methyl 3-methoxypropanoate
CID 174902362

Frequently Asked Questions

What is the IUPAC name of (3-acetamido-2-hydroxyphenyl)arsonic acid?
The IUPAC name of (3-acetamido-2-hydroxyphenyl)arsonic acid (CID 154325288) is (3-acetamido-2-hydroxyphenyl)arsonic acid.
What is the SMILES notation for (3-acetamido-2-hydroxyphenyl)arsonic acid?
The canonical SMILES for (3-acetamido-2-hydroxyphenyl)arsonic acid is CC(=O)Nc1cccc([As](=O)(O)O)c1O.
What is the InChIKey of (3-acetamido-2-hydroxyphenyl)arsonic acid?
The InChIKey is NHNUFAASKXPOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10AsNO5/c1-5(11)10-7-4-2-3-6(8(7)12)9(13,14)15/h2-4,12H,1H3,(H,10,11)(H2,13,14,15).
What are the key properties of (3-acetamido-2-hydroxyphenyl)arsonic acid?
(3-acetamido-2-hydroxyphenyl)arsonic acid has a molecular weight of 275.09 g/mol, XLogP of -1.09, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-acetamido-2-hydroxyphenyl)arsonic acid is sourced from PubChem (CID 154325288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).