1.0
2011-10-02 06:37:55 UTC
2019-11-26 03:21:34 UTC
FDB029783
Ethyl 2-furoate
Flavouring compound [Superscent]
C7H8O3
140.1366
140.047344122
ethyl furan-2-carboxylate
ethyl 2-furoate
[H]C1=C([H])C([H])=C(O1)C(=O)OC([H])([H])C([H])([H])[H]
InChI=1S/C7H8O3/c1-2-9-7(8)6-4-3-5-10-6/h3-5H,2H2,1H3
NHXSTXWKZVAVOQ-UHFFFAOYSA-N
belongs to the class of organic compounds known as furoic acid esters. These are ester derivatives of furoic acid.
Furoic acid esters
Organic compounds
Organoheterocyclic compounds
Furans
Furoic acid and derivatives
Aromatic heteromonocyclic compounds
Carboxylic acid esters
Heteroaromatic compounds
Hydrocarbon derivatives
Monocarboxylic acids and derivatives
Organic oxides
Organooxygen compounds
Oxacyclic compounds
Aromatic heteromonocyclic compound
Carboxylic acid derivative
Carboxylic acid ester
Furoic acid ester
Heteroaromatic compound
Hydrocarbon derivative
Monocarboxylic acid or derivatives
Organic oxide
Organic oxygen compound
Organooxygen compound
Oxacycle
logp
1.77
logs
-1.03
solubility
1.32e+01 g/l
logp
1.39
pka_strongest_basic
-3.1
iupac
ethyl furan-2-carboxylate
average_mass
140.1366
mono_mass
140.047344122
smiles
[H]C1=C([H])C([H])=C(O1)C(=O)OC([H])([H])C([H])([H])[H]
formula
C7H8O3
inchi
InChI=1S/C7H8O3/c1-2-9-7(8)6-4-3-5-10-6/h3-5H,2H2,1H3
inchikey
NHXSTXWKZVAVOQ-UHFFFAOYSA-N
polar_surface_area
39.44
refractivity
35.22
polarizability
13.77
rotatable_bond_count
3
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::MsIr
9745
Specdb::MsIr
9746
Specdb::CMs
36542
Specdb::CMs
171544
Specdb::NmrOneD
53302
Specdb::NmrOneD
53303
Specdb::NmrOneD
53304
Specdb::NmrOneD
53305
Specdb::NmrOneD
53306
Specdb::NmrOneD
53307
Specdb::NmrOneD
53308
Specdb::NmrOneD
53309
Specdb::NmrOneD
53310
Specdb::NmrOneD
53311
Specdb::NmrOneD
53312
Specdb::NmrOneD
53313
Specdb::NmrOneD
53314
Specdb::NmrOneD
53315
Specdb::NmrOneD
53316
Specdb::NmrOneD
53317
Specdb::NmrOneD
53318
Specdb::NmrOneD
53319
Specdb::NmrOneD
53320
Specdb::NmrOneD
53321
Specdb::MsMs
913951
Specdb::MsMs
913952
Specdb::MsMs
913953
Specdb::MsMs
962095
Specdb::MsMs
962096
Specdb::MsMs
962097
Specdb::MsMs
3223666
Specdb::MsMs
3223667
Specdb::MsMs
3223668
Specdb::MsMs
3224530
Specdb::MsMs
3224531
Specdb::MsMs
3224532
Milk (Cow)
Type 2
specific
plum