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1701-69-5 | 1-(Pyridin-4-yl);propan-1-one
CAS No: 1701-69-5 Catalog No: AG003D4A MDL No:MFCD00041229
Product Description
Catalog Number:
AG003D4A
Chemical Name:
1-(Pyridin-4-yl);propan-1-one
CAS Number:
1701-69-5
Molecular Formula:
C8H9NO
Molecular Weight:
135.1632
MDL Number:
MFCD00041229
IUPAC Name:
1-pyridin-4-ylpropan-1-one
InChI:
InChI=1S/C8H9NO/c1-2-8(10)7-3-5-9-6-4-7/h3-6H,2H2,1H3
InChI Key:
AFHFHXVRHACYSR-UHFFFAOYSA-N
SMILES:
CCC(=O)c1ccncc1
UNII:
GWM94I83NR
NSC Number:
31619
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:
0.8
Literature
| Title | Journal |
|---|---|
| 4-pyridyl carbonyl and related compounds as thrips lures: effectiveness for onion thrips and new zealand flower thrips in field experiments. | Journal of agricultural and food chemistry 20070725 |
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