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6304-16-1 | (4-Pyridyl)acetone
CAS No: 6304-16-1 Catalog No: AG003M0N MDL No:MFCD00129043
Product Description
Catalog Number:
AG003M0N
Chemical Name:
(4-Pyridyl)acetone
CAS Number:
6304-16-1
Molecular Formula:
C8H9NO
Molecular Weight:
135.1632
MDL Number:
MFCD00129043
IUPAC Name:
1-pyridin-4-ylpropan-2-one
InChI:
InChI=1S/C8H9NO/c1-7(10)6-8-2-4-9-5-3-8/h2-5H,6H2,1H3
InChI Key:
ILRVKOYYFFNXDB-UHFFFAOYSA-N
SMILES:
CC(=O)Cc1ccncc1
EC Number:
228-605-7
UNII:
R6ONM9F2AU
NSC Number:
42613
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.068g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
135.166g/mol
Monoisotopic Mass:
135.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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