(3-acetamido-4-hydroxyphenyl)arsonic acid;hydron

C8H12AsNO5+2 — CID 174446645

IUPAC(3-acetamido-4-hydroxyphenyl)arsonic acid;hydron
SMILESCC(=O)Nc1cc([As](=O)(O)O)ccc1O.[H+].[H+]
InChIInChI=1S/C8H10AsNO5/c1-5(11)10-7-4-6(9(13,14)15)2-3-8(7)12/h2-4,12H,1H3,(H,10,11)(H2,13,14,15)/p+2
InChIKeyODFJOVXVLFUVNQ-UHFFFAOYSA-P
MW277.11 g/mol
LogP-0.86
Rot. Bonds2

About (3-acetamido-4-hydroxyphenyl)arsonic acid;hydron

(3-acetamido-4-hydroxyphenyl)arsonic acid;hydron (PubChem CID 174446645) has the molecular formula C8H12AsNO5+2 and a molecular weight of 277.11 g/mol. Its IUPAC name is (3-acetamido-4-hydroxyphenyl)arsonic acid;hydron.

Molecular Properties

Compound Name(3-acetamido-4-hydroxyphenyl)arsonic acid;hydron
PubChem CID174446645
Molecular FormulaC8H12AsNO5+2
Molecular Weight277.11 g/mol
Exact Mass276.99
IUPAC Name(3-acetamido-4-hydroxyphenyl)arsonic acid;hydron
SMILESCC(=O)Nc1cc([As](=O)(O)O)ccc1O.[H+].[H+]
InChIInChI=1S/C8H10AsNO5/c1-5(11)10-7-4-6(9(13,14)15)2-3-8(7)12/h2-4,12H,1H3,(H,10,11)(H2,13,14,15)/p+2
InChIKeyODFJOVXVLFUVNQ-UHFFFAOYSA-P
XLogP-0.86
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.11
LogP ≤ 5-0.86
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

CID 174311569
CID 174311569
(3-acetamido-4-hydroxyphenyl)arsonic acid;2-aminoacetic acid
CID 174387815
(3-acetamido-4-hydroxyphenyl)arsonic acid;4-methylphenol
CID 174289113
(3-acetamido-4-hydroxyphenyl)arsonic acid;1-hydroxy-2,2,6,6-tetramethylpiperidine
CID 174406515
(3-acetamido-4-hydroxyphenyl)arsonic acid;2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium
CID 174432735
(3-acetamido-4-hydroxyphenyl)arsonic acid;piperidin-1-ylmethanol
CID 174365729
(3-acetamido-4-hydroxyphenyl)arsonic acid;2-ethoxycarbonylbutanoic acid
CID 174257876
(3-acetamido-4-hydroxyphenyl)arsonic acid;N-(2-methylbutyl)benzamide
CID 174311385
(3-acetamido-4-hydroxyphenyl)-(4-methylbenzoyl)oxyarsinic acid
CID 174956523
(6-acetamido-2-amino-3-hydroxyphenyl)arsonic acid
CID 150637413
(3-acetamido-4-hydroxyphenyl)-(3-bromobenzoyl)oxyarsinic acid
CID 174793571
(3-acetamido-4-hydroxyphenyl)-(2-hydroxy-4-phenylbutanoyl)oxyarsinic acid
CID 174605336

Frequently Asked Questions

What is the IUPAC name of (3-acetamido-4-hydroxyphenyl)arsonic acid;hydron?
The IUPAC name of (3-acetamido-4-hydroxyphenyl)arsonic acid;hydron (CID 174446645) is (3-acetamido-4-hydroxyphenyl)arsonic acid;hydron.
What is the SMILES notation for (3-acetamido-4-hydroxyphenyl)arsonic acid;hydron?
The canonical SMILES for (3-acetamido-4-hydroxyphenyl)arsonic acid;hydron is CC(=O)Nc1cc([As](=O)(O)O)ccc1O.[H+].[H+].
What is the InChIKey of (3-acetamido-4-hydroxyphenyl)arsonic acid;hydron?
The InChIKey is ODFJOVXVLFUVNQ-UHFFFAOYSA-P. The full InChI is InChI=1S/C8H10AsNO5/c1-5(11)10-7-4-6(9(13,14)15)2-3-8(7)12/h2-4,12H,1H3,(H,10,11)(H2,13,14,15)/p+2.
What are the key properties of (3-acetamido-4-hydroxyphenyl)arsonic acid;hydron?
(3-acetamido-4-hydroxyphenyl)arsonic acid;hydron has a molecular weight of 277.11 g/mol, XLogP of -0.86, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-acetamido-4-hydroxyphenyl)arsonic acid;hydron is sourced from PubChem (CID 174446645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).