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18065-78-6

18065-78-6 | 1-(2-phenylethyl)-1,2-dihydropyridin-2-one

CAS No: 18065-78-6 Catalog No: AG01DYZT MDL No:MFCD00598746

Product Description

Catalog Number:
AG01DYZT
Chemical Name:
1-(2-phenylethyl)-1,2-dihydropyridin-2-one
CAS Number:
18065-78-6
Molecular Formula:
C13H13NO
Molecular Weight:
199.2484
MDL Number:
MFCD00598746
IUPAC Name:
1-(2-phenylethyl)pyridin-2-one
InChI:
InChI=1S/C13H13NO/c15-13-8-4-5-10-14(13)11-9-12-6-2-1-3-7-12/h1-8,10H,9,11H2
InChI Key:
BVHQLHNISFFNNO-UHFFFAOYSA-N
SMILES:
O=c1ccccn1CCc1ccccc1
NSC Number:
167484

Properties

Complexity:
274  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.1g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.253g/mol
Monoisotopic Mass:
199.1g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

Literature

Title Journal
Forced degradation of fentanyl: identification and analysis of impurities and degradants. Journal of pharmaceutical and biomedical analysis 20101102

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