Phenacetin

CAT: 1299-RM-P081400-03Size: 50 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-P081400-03Size:50 mg

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CAS Number

62-44-2

Synonyms

N- (4-ethoxyphenyl) acetamide

Molecular Formula

C10H13NO2

Molecular Weight

179.22

Target Alternative Name

Phenacetin

Product Name Synonym

N- (4-ethoxyphenyl) acetamide

Chemical Information

Phenacetin

Phenacetin can cause cancer according to California Labor Code.

CAS Number	62-44-2
PubChem CID	4754
IUPAC Name	N-(4-ethoxyphenyl)acetamide
Molecular Formula	C10H13NO2
Molecular Weight	179.22
XLogP	1.6
Topological Polar Surface Area	38.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	162

SMILES

CCOC1=CC=C(C=C1)NC(=O)C

InChI

InChI=1S/C10H13NO2/c1-3-13-10-6-4-9(5-7-10)11-8(2)12/h4-7H,3H2,1-2H3,(H,11,12)

InChIKey

CPJSUEIXXCENMM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 62-44-2

CID: 4754

Formula: C10H13NO2

MW: 179.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	179.22
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	179.094628657
Monoisotopic Mass	179.094628657
Topological Polar Surface Area	38.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	162
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
561575	Phenacetin