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55676-05-6 | Ethanone, 1,1-(3,4-pyridinediyl)bis- (9CI)
CAS No: 55676-05-6 Catalog No: AG00DT9J MDL No:MFCD18836854
Product Description
Catalog Number:
AG00DT9J
Chemical Name:
Ethanone, 1,1-(3,4-pyridinediyl)bis- (9CI)
CAS Number:
55676-05-6
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
MDL Number:
MFCD18836854
IUPAC Name:
1-(3-acetylpyridin-4-yl)ethanone
InChI:
InChI=1S/C9H9NO2/c1-6(11)8-3-4-10-5-9(8)7(2)12/h3-5H,1-2H3
InChI Key:
YCKJEKCAHWUHND-UHFFFAOYSA-N
SMILES:
CC(=O)c1cnccc1C(=O)C
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.176g/mol
Monoisotopic Mass:
163.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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