1.0
2010-04-08 22:12:41 UTC
2015-07-20 23:33:28 UTC
FDB016858
2-Furanylmethyl propanoate
Flavouring ingredient
2-Furanmethanol, 2-propanoate
2-Furanmethanol, propanoate
2-Furanmethyl propanoate
2-Furanmethyl propionate
2-Furanylmethyl propanoate
2-furfuryl propanoate
2-Furylmethyl propionate
FEMA 3346
Furfuryl alcohol propanoate
Furfuryl alcohol, propionate
Furfuryl alcohol, propionate (8CI)
Furfuryl propanoate
Furfuryl propionate
C8H10O3
154.1632
154.062994186
furan-2-ylmethyl propanoate
2-furanmethanol, propanoate
623-19-8
CCC(=O)OCC1=CC=CO1
InChI=1S/C8H10O3/c1-2-8(9)11-6-7-4-3-5-10-7/h3-5H,2,6H2,1H3
LGBXNZSSTFWRFS-UHFFFAOYSA-N
belongs to the class of organic compounds known as heteroaromatic compounds. Heteroaromatic compounds are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom.
Heteroaromatic compounds
Organic compounds
Organoheterocyclic compounds
Heteroaromatic compounds
Aromatic heteromonocyclic compounds
Carbonyl compounds
Carboxylic acid esters
Furans
Hydrocarbon derivatives
Monocarboxylic acids and derivatives
Organic oxides
Oxacyclic compounds
Aromatic heteromonocyclic compound
Carbonyl group
Carboxylic acid derivative
Carboxylic acid ester
Furan
Heteroaromatic compound
Hydrocarbon derivative
Monocarboxylic acid or derivatives
Organic oxide
Organic oxygen compound
Organooxygen compound
Oxacycle
logp
1.93
logs
-1.34
solubility
7.07e+00 g/l
logp
1.41
pka_strongest_basic
-3.4
iupac
furan-2-ylmethyl propanoate
average_mass
154.1632
mono_mass
154.062994186
smiles
CCC(=O)OCC1=CC=CO1
formula
C8H10O3
inchi
InChI=1S/C8H10O3/c1-2-8(9)11-6-7-4-3-5-10-7/h3-5H,2,6H2,1H3
inchikey
LGBXNZSSTFWRFS-UHFFFAOYSA-N
polar_surface_area
39.44
refractivity
39.04
polarizability
16.01
rotatable_bond_count
4
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::MsIr
7633
Specdb::MsIr
7634
Specdb::CMs
24492
Specdb::CMs
157030
Specdb::NmrOneD
22642
Specdb::NmrOneD
22643
Specdb::NmrOneD
22644
Specdb::NmrOneD
22645
Specdb::NmrOneD
22646
Specdb::NmrOneD
22647
Specdb::NmrOneD
22648
Specdb::NmrOneD
22649
Specdb::NmrOneD
22650
Specdb::NmrOneD
22651
Specdb::NmrOneD
22652
Specdb::NmrOneD
22653
Specdb::NmrOneD
22654
Specdb::NmrOneD
22655
Specdb::NmrOneD
22656
Specdb::NmrOneD
22657
Specdb::NmrOneD
22658
Specdb::NmrOneD
22659
Specdb::NmrOneD
22660
Specdb::NmrOneD
22661
Specdb::MsMs
72441
Specdb::MsMs
72442
Specdb::MsMs
72443
Specdb::MsMs
131367
Specdb::MsMs
131368
Specdb::MsMs
131369
Specdb::MsMs
2417683
Specdb::MsMs
2417684
Specdb::MsMs
2417685
Specdb::MsMs
2548030
Specdb::MsMs
2548031
Specdb::MsMs
2548032
HMDB37728
#<Reference:0x00005556740eee60>
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