1.0
2010-04-08 22:15:29 UTC
2015-07-21 06:50:32 UTC
FDB021118
Allyl cinnamate
Flavouring agent
Allyl (2E)-3-phenyl-2-propenoate
Allyl 3-phenylacrylate
Allyl cinnamate
Allylester kyseliny skoricove
Cinnamic acid, allyl ester
FEMA 2022
Propenyl cinnamate
Vinyl carbinyl cinnamate
C12H12O2
188.2225
188.083729628
prop-2-en-1-yl (2Z)-3-phenylprop-2-enoate
prop-2-en-1-yl (2Z)-3-phenylprop-2-enoate
56289-56-6
C=CCOC(=O)\C=C/C1=CC=CC=C1
InChI=1S/C12H12O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h2-9H,1,10H2/b9-8-
KCMITHMNVLRGJU-HJWRWDBZSA-N
logp
3.19
logs
-3.78
solubility
3.11e-02 g/l
logp
3.25
pka_strongest_basic
-6.8
iupac
prop-2-en-1-yl (2Z)-3-phenylprop-2-enoate
average_mass
188.2225
mono_mass
188.083729628
smiles
C=CCOC(=O)\C=C/C1=CC=CC=C1
formula
C12H12O2
inchi
InChI=1S/C12H12O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h2-9H,1,10H2/b9-8-
inchikey
KCMITHMNVLRGJU-HJWRWDBZSA-N
polar_surface_area
26.3
refractivity
56.99
polarizability
20.86
rotatable_bond_count
5
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::CMs
15437
Specdb::CMs
149750
Specdb::MsIr
9161
Specdb::MsIr
9162
Specdb::MsMs
300196
Specdb::MsMs
300197
Specdb::MsMs
300198
Specdb::MsMs
342406
Specdb::MsMs
342407
Specdb::MsMs
342408
Specdb::MsMs
2779804
Specdb::MsMs
2779805
Specdb::MsMs
2779806
Specdb::MsMs
2925211
Specdb::MsMs
2925212
Specdb::MsMs
2925213
HMDB41219
#<Reference:0x00005556760468f8>
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