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3025-30-7 | 2,4-Decadienoic acid, ethyl ester, (2E,4Z)-
CAS No: 3025-30-7 Catalog No: AG002ZD5 MDL No:MFCD00082225
Product Description
Catalog Number:
AG002ZD5
Chemical Name:
2,4-Decadienoic acid, ethyl ester, (2E,4Z)-
CAS Number:
3025-30-7
Molecular Formula:
C12H20O2
Molecular Weight:
196.2860
MDL Number:
MFCD00082225
IUPAC Name:
ethyl (2E,4Z)-deca-2,4-dienoate
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+
InChI Key:
OPCRGEVPIBLWAY-QNRZBPGKSA-N
SMILES:
CCCCC/C=C\C=C\C(=O)OCC
UNII:
79P6KS9Y5Z
FEMA Number:
3148
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
196.146g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.29g/mol
Monoisotopic Mass:
196.146g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Literature
| Title | Journal |
|---|---|
| Phytotoxicity of sarmentine isolated from long pepper (Piper longum) fruit. | Journal of agricultural and food chemistry 20100922 |
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