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2'-Amino-4'-methoxyacetophenone

CAT: 0024-sc-260323ASize: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-260323ASize:1 g
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CAS Number
42465-53-2

Chemical Information

1-(2-Amino-4-methoxyphenyl)ethan-1-one
CAS Number42465-53-2
PubChem CID10678615
IUPAC Name1-(2-amino-4-methoxyphenyl)ethanone
Molecular FormulaC9H11NO2
Molecular Weight165.19
XLogP1.8
Topological Polar Surface Area52.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity170
SMILES
CC(=O)C1=C(C=C(C=C1)OC)N
InChI
InChI=1S/C9H11NO2/c1-6(11)8-4-3-7(12-2)5-9(8)10/h3-5H,10H2,1-2H3
InChIKey
FOFUOGSRVUOROJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(2-Amino-4-methoxyphenyl)ethan-1-one
CAS: 42465-53-2
CID: 10678615
Formula: C9H11NO2
MW: 165.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight165.19
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass165.078978594
Monoisotopic Mass165.078978594
Topological Polar Surface Area52.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity170
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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Alternative Products

CatalogName
OR963707-012'-Amino-4'-methoxyacetophenone
260098-012-Amino-4'-methoxyacetophenone hydrochloride
OR701342'-Amino-3'-chloro-4'-methoxyacetophenone
OR151314'-Amino-3'-methoxyacetophenone
CS-O-424352'-FLUORO-4'-METHOXYACETOPHENONE
OR8814-014'-Hydroxy-2'-methoxyacetophenone
OR015436-012'-Hydroxy-4'-methoxyacetophenone
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