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(2E,4E)-2,4-Decadienoic Acid Ethyl Ester

CAT: 0572-TRC-D210590-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D210590-1GSize:1 g
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CAS Number
7328-34-9
Hazard Statement
No Data Available
Smiles
CCCCC\C=C\C=C\C(=O)OCC
Molecular Formula
C12 H20 O2
Molecular Weight
196.286
InChI
InChI=1S/C12H20O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h8-11H,3-7H2,1-2H3/b9-8+,11-10+
Additionnal Information
IUPAC name: ethyl (2E,4E)-deca-2,4-dienoate
Shipping Conditions
Room Temperature

Chemical Information

2,4-Decadienoic acid, ethyl ester, (2E,4E)-

Ethyl 2Z,4E-decadienoic acid is a flavouring material.

CAS Number7328-34-9
PubChem CID5371455
IUPAC Nameethyl (2E,4E)-deca-2,4-dienoate
Molecular FormulaC12H20O2
Molecular Weight196.29
XLogP4
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Heavy Atom Count14
Formal Charge0
Complexity192
SMILES
CCCCC/C=C/C=C/C(=O)OCC
InChI
InChI=1S/C12H20O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h8-11H,3-7H2,1-2H3/b9-8+,11-10+
InChIKey
OPCRGEVPIBLWAY-BNFZFUHLSA-N
Chemical Structure
2D Structure
2D structure of 2,4-Decadienoic acid, ethyl ester, (2E,4E)-
CAS: 7328-34-9
CID: 5371455
Formula: C12H20O2
MW: 196.29
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight196.29
XLogP34
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Exact Mass196.146329876
Monoisotopic Mass196.146329876
Topological Polar Surface Area26.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity192
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes