1.0
2011-09-26 22:55:38 UTC
2015-07-21 07:00:48 UTC
FDB029742
6beta,7beta,10beta-Cadina-1,4-diene
Flavouring compound [Flavornet]
C8H4
100.12
100.031300129
1,2,3,6-tetrahydrocubane
1,2,3,6-tetrahydrocubane
29837-12-5
C12C3C4C1=C1C2C3=C41
InChI=1S/C8H4/c1-2-5-3(1)7-4(1)6(2)8(5)7/h1-3,6H
KWFAQPWLROZBAY-UHFFFAOYSA-N
logp
0.66
logs
-1.17
solubility
6.69e+00 g/l
logp
-0.46
iupac
1,2,3,6-tetrahydrocubane
average_mass
100.12
mono_mass
100.031300129
smiles
C12C3C4C1=C1C2C3=C41
formula
C8H4
inchi
InChI=1S/C8H4/c1-2-5-3(1)7-4(1)6(2)8(5)7/h1-3,6H
inchikey
KWFAQPWLROZBAY-UHFFFAOYSA-N
polar_surface_area
0
refractivity
30.35
polarizability
10.2
rotatable_bond_count
0
acceptor_count
0
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::MsMs
1279018
Specdb::MsMs
1279019
Specdb::MsMs
1279020
Specdb::MsMs
1393912
Specdb::MsMs
1393913
Specdb::MsMs
1393914
Specdb::MsMs
3607348
Specdb::MsMs
3607349
Specdb::MsMs
3607350
Specdb::MsMs
3607351
Specdb::MsMs
3607352
Specdb::MsMs
3607353
fruit
fruity
mango
spice
spicy