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2-Acetamidophenol

CAT: 0926-FA16942-02Size: 0.5 KgDry Ice: NoHazardous: No
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CAS Number
614-80-2
Synonyms
N- (2-Hydroxyphenyl) acetamide;2'-Hydroxyacetanilide;2- (Acetylamino) phenol
MDL Number
MFCD00002181
Smiles
CC (=O) NC1=CC=CC=C1O
Molecular Formula
C8H9NO2
Molecular Weight
151.16 g/mol
Controlled
No

Chemical Information

2-Acetamidophenol

2-acetamidophenol is a member of the class of phenols that is 2-aminophenol in which one of the hydrogens attached to the amino group has been replaced by an acetyl group. A positional isomer of paracetamol which possesses anti-inflammatory, anti-arthritic and anti-platelet aggregation properties. It has a role as an antineoplastic agent, an antirheumatic drug, a platelet aggregation inhibitor, an anti-inflammatory agent, an apoptosis inducer and a xenobiotic metabolite. It is a member of acetamides and a member of phenols.

CAS Number614-80-2
PubChem CID11972
IUPAC NameN-(2-hydroxyphenyl)acetamide
Molecular FormulaC8H9NO2
Molecular Weight151.16
XLogP0.7
Topological Polar Surface Area49.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity147
SMILES
CC(=O)NC1=CC=CC=C1O
InChI
InChI=1S/C8H9NO2/c1-6(10)9-7-4-2-3-5-8(7)11/h2-5,11H,1H3,(H,9,10)
InChIKey
ADVGKWPZRIDURE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Acetamidophenol
CAS: 614-80-2
CID: 11972
Formula: C8H9NO2
MW: 151.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight151.16
XLogP30.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass151.063328530
Monoisotopic Mass151.063328530
Topological Polar Surface Area49.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity147
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
HY-W015600-012-Acetamidophenol
HY-W015600R-012-Acetamidophenol (Standard)
HY-W015600S-012-Acetamidophenol-d3
GK4314-250g4-Acetamidophenol
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00204-82P-Acetamidophenol

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