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Acetaminophen Impurity B

CAT: 1299-RM-A201302-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-A201302-03Size:50 mg
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CAS Number
98966-17-7
Synonyms
N- (5-acetamido-2-hydroxyphenyl) -N- (4-hydroxyphenyl) acetamide
Molecular Formula
C16H16N2O4
Molecular Weight
300.31
Target Alternative Name
Acetaminophen
Product Name Synonym
N- (5-acetamido-2-hydroxyphenyl) -N- (4-hydroxyphenyl) acetamide

Chemical Information

N-[5-(Acetylamino)-2-hydroxyphenyl]-N-(4-hydroxyphenyl)acetamide
CAS Number98966-17-7
PubChem CID86138881
IUPAC NameN-[3-(N-acetyl-4-hydroxyanilino)-4-hydroxyphenyl]acetamide
Molecular FormulaC16H16N2O4
Molecular Weight300.31
XLogP1.2
Topological Polar Surface Area89.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity407
SMILES
CC(=O)NC1=CC(=C(C=C1)O)N(C2=CC=C(C=C2)O)C(=O)C
InChI
InChI=1S/C16H16N2O4/c1-10(19)17-12-3-8-16(22)15(9-12)18(11(2)20)13-4-6-14(21)7-5-13/h3-9,21-22H,1-2H3,(H,17,19)
InChIKey
NQLVUMFRDUPEJZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[5-(Acetylamino)-2-hydroxyphenyl]-N-(4-hydroxyphenyl)acetamide
CAS: 98966-17-7
CID: 86138881
Formula: C16H16N2O4
MW: 300.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight300.31
XLogP31.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass300.11100700
Monoisotopic Mass300.11100700
Topological Polar Surface Area89.9 Ų
Heavy Atom Count22
Formal Charge0
Complexity407
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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