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Home > Pyridines > 27554-36-5

27554-36-5

27554-36-5 | Methanone, phenylpyridinyl-

CAS No: 27554-36-5 Catalog No: AG002U23 MDL No:

Product Description

Catalog Number:
AG002U23
Chemical Name:
Methanone, phenylpyridinyl-
CAS Number:
27554-36-5
Molecular Formula:
C12H9NO
Molecular Weight:
183.2060
IUPAC Name:
phenyl(pyridin-2-yl)methanone
InChI:
InChI=1S/C12H9NO/c14-12(10-6-2-1-3-7-10)11-8-4-5-9-13-11/h1-9H
InChI Key:
GCSHUYKULREZSJ-UHFFFAOYSA-N
SMILES:
O=C(c1ccccn1)c1ccccc1
EC Number:
202-034-3
NSC Number:
20887

Properties

Complexity:
197  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.068g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.21g/mol
Monoisotopic Mass:
183.068g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

Literature

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