1.0
2019-08-26 16:59:08 UTC
2019-11-26 03:24:12 UTC
FDB093466
tricosadienyl-resorcinol (C23:2)
C29H48O2
428.701
428.365430786
2-(tricosa-1,3-dien-1-yl)benzene-1,3-diol
2-(tricosa-1,3-dien-1-yl)benzene-1,3-diol
CCCCCCCCCCCCCCCCCCCC=CC=CC1=C(O)C=CC=C1O
InChI=1S/C29H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27-28(30)25-23-26-29(27)31/h20-26,30-31H,2-19H2,1H3
WNJZJSFUSQUXDH-UHFFFAOYSA-N
logp
10.29
logs
-6.95
solubility
4.83e-05 g/l
logp
11.02
pka_strongest_acidic
9.19
pka_strongest_basic
-5.7
iupac
2-(tricosa-1,3-dien-1-yl)benzene-1,3-diol
average_mass
428.701
mono_mass
428.365430786
smiles
CCCCCCCCCCCCCCCCCCCC=CC=CC1=C(O)C=CC=C1O
formula
C29H48O2
inchi
InChI=1S/C29H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27-28(30)25-23-26-29(27)31/h20-26,30-31H,2-19H2,1H3
inchikey
WNJZJSFUSQUXDH-UHFFFAOYSA-N
polar_surface_area
40.46
refractivity
138.52
polarizability
57.8
rotatable_bond_count
20
acceptor_count
2
donor_count
2
physiological_charge
0
formal_charge
0
Amaranth
Type 1
specific
Amaranthus
3564
Annual wild rice
Type 1
specific
Zizania aquatica
75727
Barley
Type 1
specific
Hordeum vulgare
4513
Breakfast cereal
Type 2
specific
Bulgur
Type 2
specific
Cereals and cereal products
Unknown
generic
Common buckwheat
Type 1
specific
Fagopyrum esculentum
3617
Common wheat
Type 1
specific
Triticum aestivum
4565
Corn
Type 1
specific
Zea mays
4577
Flour
Type 2
specific
Hard wheat
Type 1
specific
Triticum durum
4567
Millet
Type 1
specific
Panicum miliaceum
4540
Oat
Type 1
specific
Avena sativa
4498
Oriental wheat
Type 1
specific
Triticum turanicum
376534
Quinoa
Type 1
specific
Chenopodium quinoa
63459
Red rice
Type 1
specific
Oryza rufipogon
4529
Rice
Type 1
specific
Oryza sativa
4530
Rye
Type 1
specific
Secale cereale
4550
Sorghum
Type 1
specific
Sorghum bicolor
4558
Soy bean
Type 1
specific
Glycine max
3847
Spelt
Type 1
specific
Triticum spelta
58933
Tartary buckwheat
Type 1
specific
Fagopyrum tataricum
62330
Teff
Type 1
specific
Eragrostis tef
110835
Triticale
Type 1
specific
X Triticosecale rimpaui
Wheat
Type 1
specific
Triticum
4564
Wild rice
Type 1
specific
Zizania
15949