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rac Ketoprofen Amide

CAT: 0572-TRC-K200825-2.5GSize: 2.5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-K200825-2.5GSize:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
59512-16-2
Synonyms
Ketoprofen Imp. E (EP); (2RS)-2-(3-Benzoylphenyl)propanamide; Ketoprofen Impurity E
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
CC(C(=O)N)c1cccc(c1)C(=O)c2ccccc2
Molecular Formula
C16 H15 N O2
Molecular Weight
253.3
InChI
InChI=1S/C16H15NO2/c1-11(16(17)19)13-8-5-9-14(10-13)15(18)12-6-3-2-4-7-12/h2-11H,1H3,(H2,17,19)
Additionnal Information
IUPAC name: 2-(3-benzoylphenyl)propanamide
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Ketoprofen amide
CAS Number59512-16-2
PubChem CID3042314
IUPAC Name2-(3-benzoylphenyl)propanamide
Molecular FormulaC16H15NO2
Molecular Weight253.29
XLogP2.5
Topological Polar Surface Area60.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge0
Complexity334
SMILES
CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)N
InChI
InChI=1S/C16H15NO2/c1-11(16(17)19)13-8-5-9-14(10-13)15(18)12-6-3-2-4-7-12/h2-11H,1H3,(H2,17,19)
InChIKey
KLWMCJJRUWWDSW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ketoprofen amide
CAS: 59512-16-2
CID: 3042314
Formula: C16H15NO2
MW: 253.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight253.29
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass253.110278721
Monoisotopic Mass253.110278721
Topological Polar Surface Area60.2 Ų
Heavy Atom Count19
Formal Charge0
Complexity334
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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