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(E)-3-(Furan-2-yl)acrylaldehyde

CAT: 0572-TRC-F840240-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-F840240-5GSize:5 g
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CAS Number
39511-08-5
Synonyms
(2E)-3-(2-Furanyl)-2-propenal; (2E)-3-(2-Furyl)acrolein; (2E)-3-(2-Furyl)prop-2-enal; (E)-3-(2-Furanyl)acrolein; (E)-3-(2-Furyl)-2-propenal; (E)-3-(2-Furyl)acrolein; (E)-3-(Furan-2-yl)-2-propenal; (E)-3-(Furan-2-yl)propenal; trans-3-(2-Furanyl)propenal; trans-3-(2-Furyl)-2-propenal; trans-3-(2-Furyl)acrolein; trans-beta-2-Furylacrolein;
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
O=C\C=C\c1occc1
Molecular Formula
C7H6O2
Molecular Weight
122.12
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2-Furanacrolein

3-(2-Furanyl)-2-propenal is a heteroarene.

CAS Number39511-08-5
PubChem CID1549521
IUPAC Name(E)-3-(furan-2-yl)prop-2-enal
Molecular FormulaC7H6O2
Molecular Weight122.12
XLogP1.1
Topological Polar Surface Area30.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count9
Formal Charge0
Complexity118
SMILES
C1=COC(=C1)/C=C/C=O
InChI
InChI=1S/C7H6O2/c8-5-1-3-7-4-2-6-9-7/h1-6H/b3-1+
InChIKey
VZIRCHXYMBFNFD-HNQUOIGGSA-N
Chemical Structure
2D Structure
2D structure of 2-Furanacrolein
CAS: 39511-08-5
CID: 1549521
Formula: C7H6O2
MW: 122.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight122.12
XLogP31.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass122.036779430
Monoisotopic Mass122.036779430
Topological Polar Surface Area30.2 Ų
Heavy Atom Count9
Formal Charge0
Complexity118
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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