1.0
2010-04-08 22:12:41 UTC
2015-07-20 23:33:32 UTC
FDB016863
Propyl 2-furanacrylate
Flavouring ingredient
2-Furanacrylic acid, propyl ester
2-Propenoic acid, 3-(2-furanyl)-, propyl ester
FEMA 2945
Propyl 2-furanacrylate
Propyl 3-(2-furanyl)-2-propenoate
Propyl 3-(2-furyl)-2-propenoate
Propyl 3-(2-furyl)acrylate
Propyl beta-2-furylacrylate
Propyl beta-furylacrylate
C10H12O3
180.2005
180.07864425
propyl (2Z)-3-(furan-2-yl)prop-2-enoate
propyl (2Z)-3-(furan-2-yl)prop-2-enoate
623-22-3
CCCOC(=O)\C=C/C1=CC=CO1
InChI=1S/C10H12O3/c1-2-7-13-10(11)6-5-9-4-3-8-12-9/h3-6,8H,2,7H2,1H3/b6-5-
RRFBKGHLBNBFGL-WAYWQWQTSA-N
logp
2.75
logs
-3.06
solubility
1.58e-01 g/l
logp
2.45
pka_strongest_basic
-3.1
iupac
propyl (2Z)-3-(furan-2-yl)prop-2-enoate
average_mass
180.2005
mono_mass
180.07864425
smiles
CCCOC(=O)\C=C/C1=CC=CO1
formula
C10H12O3
inchi
InChI=1S/C10H12O3/c1-2-7-13-10(11)6-5-9-4-3-8-12-9/h3-6,8H,2,7H2,1H3/b6-5-
inchikey
RRFBKGHLBNBFGL-WAYWQWQTSA-N
polar_surface_area
39.44
refractivity
49.49
polarizability
19.42
rotatable_bond_count
5
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::CMs
14969
Specdb::CMs
137304
Specdb::CMs
145038
Specdb::MsIr
7641
Specdb::MsIr
7642
Specdb::MsMs
107658
Specdb::MsMs
107659
Specdb::MsMs
107660
Specdb::MsMs
174684
Specdb::MsMs
174685
Specdb::MsMs
174686
Specdb::MsMs
2372625
Specdb::MsMs
2372626
Specdb::MsMs
2372627
Specdb::MsMs
2563671
Specdb::MsMs
2563672
Specdb::MsMs
2563673
HMDB37733
#<Reference:0x0000555676234610>
bitter
caramel
fruity
spice
sweet