1.0
2010-04-08 22:08:55 UTC
2018-05-28 23:26:38 UTC
FDB010036
2-Pentenoic acid
It is used as a food additive .
(2e)-2-Pentenoate
(2E)-2-Pentenoic acid
(2Z)-2-Pentenoic acid
(2Z)-pent-2-enoic acid
(e)-2-Pentenate
(e)-2-Pentenic acid
(e)-2-Pentenoate
(e)-2-Pentenoic acid
(e)-Pent-2-en-1-Oate
(e)-Pent-2-en-1-Oic acid
(Z)-2-pentenoic acid
2-En-valproic acid
2-Ene-VPA
2-n-Propyl-2-pentenoic acid
2-pentenoic acid, (2Z)-
5:1, N-3 trans
Amicetose
C2H5CH=CHCOOH
C5:1, N-3 trans
Cis-alpha,beta-penteneoic acid
e-2-Pentencarbonsaeure
Pent-2t-ensaeure
trans-2-Pentenate
trans-2-Pentenic acid
trans-2-Pentenoate
trans-2-Pentenoic acid
trans-a,b-Penteneoate
trans-a,b-Penteneoic acid
trans-alpha,beta-Penteneoate
trans-alpha,beta-Penteneoic acid
trans-Pent-2-ensaeure
trans-α,β-penteneoate
trans-α,β-penteneoic acid
C5H8O2
100.1158
100.0524295
(2E)-pent-2-enoic acid
trans-2-pentenoic acid
626-98-2
CC\C=C\C(O)=O
InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h3-4H,2H2,1H3,(H,6,7)/b4-3+
YIYBQIKDCADOSF-ONEGZZNKSA-N
belongs to the class of organic compounds known as straight chain fatty acids. These are fatty acids with a straight aliphatic chain.
Straight chain fatty acids
Organic compounds
Lipids and lipid-like molecules
Fatty Acyls
Fatty acids and conjugates
Aliphatic acyclic compounds
Carbonyl compounds
Carboxylic acids
Hydrocarbon derivatives
Monocarboxylic acids and derivatives
Organic oxides
Unsaturated fatty acids
Aliphatic acyclic compound
Carbonyl group
Carboxylic acid
Carboxylic acid derivative
Hydrocarbon derivative
Monocarboxylic acid or derivatives
Organic oxide
Organic oxygen compound
Organooxygen compound
Straight chain fatty acid
Unsaturated fatty acid
Unsaturated fatty acids
pent-2-enoic acid
logp
1.19
logs
-0.37
solubility
4.26e+01 g/l
logp
1.36
pka_strongest_acidic
5.03
iupac
(2E)-pent-2-enoic acid
average_mass
100.1158
mono_mass
100.0524295
smiles
CC\C=C\C(O)=O
formula
C5H8O2
inchi
InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h3-4H,2H2,1H3,(H,6,7)/b4-3+
inchikey
YIYBQIKDCADOSF-ONEGZZNKSA-N
polar_surface_area
37.3
refractivity
27.57
polarizability
10.56
rotatable_bond_count
2
acceptor_count
2
donor_count
1
physiological_charge
-1
formal_charge
0
Specdb::CMs
25765
Specdb::CMs
42831
Specdb::CMs
137092
Specdb::CMs
144826
Specdb::MsIr
5453
Specdb::MsIr
5454
Specdb::MsIr
5455
Specdb::NmrOneD
113558
Specdb::NmrOneD
113559
Specdb::NmrOneD
113560
Specdb::NmrOneD
113561
Specdb::NmrOneD
113562
Specdb::NmrOneD
113563
Specdb::NmrOneD
113564
Specdb::NmrOneD
113565
Specdb::NmrOneD
113566
Specdb::NmrOneD
113567
Specdb::NmrOneD
113568
Specdb::NmrOneD
113569
Specdb::NmrOneD
113570
Specdb::NmrOneD
113571
Specdb::NmrOneD
113572
Specdb::NmrOneD
113573
Specdb::NmrOneD
113574
Specdb::NmrOneD
113575
Specdb::NmrOneD
113576
Specdb::NmrOneD
113577
Specdb::MsMs
99786
Specdb::MsMs
99787
Specdb::MsMs
99788
Specdb::MsMs
164970
Specdb::MsMs
164971
Specdb::MsMs
164972
Specdb::MsMs
2401334
Specdb::MsMs
2401335
Specdb::MsMs
2401336
Specdb::MsMs
2538236
Specdb::MsMs
2538237
Specdb::MsMs
2538238
HMDB32459
#<Reference:0x0000555675bd9d60>