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3-Acetylacetanilide

CAT: 0024-sc-214118Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-214118Size:100 mg
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CAS Number
7463-31-2

Chemical Information

3'-Acetamidoacetophenone
CAS Number7463-31-2
PubChem CID346202
IUPAC NameN-(3-acetylphenyl)acetamide
Molecular FormulaC10H11NO2
Molecular Weight177.20
XLogP1.1
Topological Polar Surface Area46.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity213
SMILES
CC(=O)C1=CC(=CC=C1)NC(=O)C
InChI
InChI=1S/C10H11NO2/c1-7(12)9-4-3-5-10(6-9)11-8(2)13/h3-6H,1-2H3,(H,11,13)
InChIKey
AFZTYHRVDOKRKV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3'-Acetamidoacetophenone
CAS: 7463-31-2
CID: 346202
Formula: C10H11NO2
MW: 177.20
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight177.20
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass177.078978594
Monoisotopic Mass177.078978594
Topological Polar Surface Area46.2 Ų
Heavy Atom Count13
Formal Charge0
Complexity213
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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