1.0
2010-04-08 22:09:29 UTC
2015-07-20 22:38:17 UTC
FDB011132
3-Acetylpyridine
Organoleptic, flavouring ingredient
β-acetylpyridine
1-(3-Pyridenyl)ethanone
1-(3-Pyridinyl)-ethanone
1-(3-Pyridinyl)ethanone
1-(3-Pyridinyl)ethanone, 9CI
1-pyridin-3-ylethanone
3-Acetopyridine
3-Acetyl-pyridine
3-Pyridyl methyl ketone
beta -Acetylpyridine
Beta-acetylpyridine
C7H7NO
Ethanone, 1-(3-pyridinyl)-
FEMA 3424
Ketone, methyl 3-pyridyl
Methyl β-pyridyl ketone
Methyl 3-pyridyl ketone
Methyl beta -pyridyl ketone
Methyl pyridyl ketone
MP silica TLC
Pyridine, 3-acetyl-
PYRIDINE,3-ACETYL
C7H7NO
121.1366
121.052763851
1-(pyridin-3-yl)ethan-1-one
3-acetylpyridine
350-03-8
CC(=O)C1=CN=CC=C1
InChI=1S/C7H7NO/c1-6(9)7-3-2-4-8-5-7/h2-5H,1H3
WEGYGNROSJDEIW-UHFFFAOYSA-N
belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group.
Aryl alkyl ketones
Organic compounds
Organic oxygen compounds
Organooxygen compounds
Carbonyl compounds
Aromatic heteromonocyclic compounds
Azacyclic compounds
Heteroaromatic compounds
Hydrocarbon derivatives
Organic oxides
Organonitrogen compounds
Organopnictogen compounds
Pyridines and derivatives
Aromatic heteromonocyclic compound
Aryl alkyl ketone
Azacycle
Heteroaromatic compound
Hydrocarbon derivative
Organic nitrogen compound
Organic oxide
Organoheterocyclic compound
Organonitrogen compound
Organopnictogen compound
Pyridine
Liquid
logp
0.45
logs
0.08
solubility
1.47e+02 g/l
melting_point
13.5 oC
logp
0.31
pka_strongest_acidic
15.55
pka_strongest_basic
3.82
iupac
1-(pyridin-3-yl)ethan-1-one
average_mass
121.1366
mono_mass
121.052763851
smiles
CC(=O)C1=CN=CC=C1
formula
C7H7NO
inchi
InChI=1S/C7H7NO/c1-6(9)7-3-2-4-8-5-7/h2-5H,1H3
inchikey
WEGYGNROSJDEIW-UHFFFAOYSA-N
polar_surface_area
29.96
refractivity
34.3
polarizability
12.39
rotatable_bond_count
1
acceptor_count
2
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::MsIr
5979
Specdb::MsIr
5980
Specdb::CMs
12128
Specdb::CMs
159250
Specdb::MsMs
87651
Specdb::MsMs
87652
Specdb::MsMs
87653
Specdb::MsMs
150189
Specdb::MsMs
150190
Specdb::MsMs
150191
Specdb::MsMs
2421927
Specdb::MsMs
2421928
Specdb::MsMs
2421929
Specdb::MsMs
2513588
Specdb::MsMs
2513589
Specdb::MsMs
2513590
HMDB33131
#<Reference:0x0000555675caaff0>
dry
hawthorn
nutty
phenolic
popcorn
sweet
woody