Acetaminophen Acetate (Acetaminophen Impurity)

CAT: 0024-sc-207248Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-207248Size:1 g

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CAS Number

2623-33-8

Chemical Information

Diacetamate

Diacetamate is a small molecule drug. Diacetamate has a monoisotopic molecular weight of 193.07 Da.

CAS Number	2623-33-8
PubChem CID	17499
IUPAC Name	(4-acetamidophenyl) acetate
Molecular Formula	C10H11NO3
Molecular Weight	193.20
XLogP	0.8
Topological Polar Surface Area	55.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	219

SMILES

CC(=O)NC1=CC=C(C=C1)OC(=O)C

InChI

InChI=1S/C10H11NO3/c1-7(12)11-9-3-5-10(6-4-9)14-8(2)13/h3-6H,1-2H3,(H,11,12)

InChIKey

UJAOSPFULOFZRR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2623-33-8

CID: 17499

Formula: C10H11NO3

MW: 193.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	193.20
XLogP3	0.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	193.07389321
Monoisotopic Mass	193.07389321
Topological Polar Surface Area	55.4 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	219
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-203425B	Acetaminophen
sc-203425	Acetaminophen
sc-203425A	Acetaminophen
sc-206936	4-Propionamidophenol (Acetaminophen Impurity B)
sc-479405	Acetaminophen Dimer
sc-362370	Acetaminophen-d3
sc-480504	Acetaminophen Dimer-d6
sc-217563	Acetaminophen-D4 (Major)
sc-211245	Desacetyl Acetaminophen Glutathione
sc-216482	3-Methoxy Acetaminophen

Catalog	Name
001108	Acetaminophen Acetate (Acetaminophen Impurity)
IA16944-01	Acetaminophen acetate
RM-A201312-01	Acetaminophen Impurity L
RM-A201329-01	Acetaminophen Impurity 3
RM-A201337-01	Acetaminophen Impurity 37
RM-A201345-01	Acetaminophen Impurity 45
AR-A05356-01	Acetaminophen Impurity 12
RM-A201336-01	Acetaminophen Impurity 36
RM-A201303-01	Acetaminophen Impurity C
RM-A201302-01	Acetaminophen Impurity B