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Etilefrine EP Impurity E (3-Hydroxy Acetophenone)

CAT: 1596-AR-E02117-02Size: 150Dry Ice: NoHazardous: No
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CAS Number
121-71-1
Synonyms
1- (3-hydroxyphenyl) ethanone;1- (3-Hydroxyphenyl) ethanone; 3'-Hydroxyacetophenone; 1- (3-Hydroxyphenyl) ethanone; 3-Acetylphenol; 3-Hydroxyphenylethanone; 3'-Hydroxyacetophenone; A 0104; NSC 2440; m-Acetylphenol; m-Hydroxyacetophenone;3’-Hydroxyacetophenone; 3-Hydroxy Acetophenone
Molecular Formula
C8H8O2
Molecular Weight
136.15
API Name
Etilefrine

Chemical Information

3-Hydroxyacetophenone

structure in first source

CAS Number121-71-1
PubChem CID8487
IUPAC Name1-(3-hydroxyphenyl)ethanone
Molecular FormulaC8H8O2
Molecular Weight136.15
XLogP1.4
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity131
SMILES
CC(=O)C1=CC(=CC=C1)O
InChI
InChI=1S/C8H8O2/c1-6(9)7-3-2-4-8(10)5-7/h2-5,10H,1H3
InChIKey
LUJMEECXHPYQOF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Hydroxyacetophenone
CAS: 121-71-1
CID: 8487
Formula: C8H8O2
MW: 136.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight136.15
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass136.052429494
Monoisotopic Mass136.052429494
Topological Polar Surface Area37.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity131
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

Related Products

CatalogName
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AR-E02116-01Etilefrine Impurity D
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Alternative Products

CatalogName
108596 5003-Hydroxy Acetophenone
RM-E202001-01Etilefrine Hydrochloride EP Impurity A
FH67091-014-Hydroxy-3- (trifluoromethyl) acetophenone
sc-356928A4'-Hydroxy-3'- (trifluoromethyl) acetophenone
108590 5002-Hydroxy Acetophenone
108598 5004-Hydroxy Acetophenone
RM-E202006-01Etilefrine hydrochloride EP Impurity F
RM-E202004-01Etilefrine hydrochloride EP Impurity D
RM-E202005-01Etilefrine Hydrochloride EP Impurity E
108370 1003-Hydroxy Acetophenone for Synthesis (m-Hydroxyacetophenone)

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