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68039-70-3 | 2,6-DECADIENOIC ACID ETHYL ESTER
CAS No: 68039-70-3 Catalog No: AG006GDV MDL No:
Product Description
Catalog Number:
AG006GDV
Chemical Name:
2,6-DECADIENOIC ACID ETHYL ESTER
CAS Number:
68039-70-3
Molecular Formula:
C12H20O2
Molecular Weight:
196.2860
IUPAC Name:
ethyl (2E,6E)-deca-2,6-dienoate
InChI:
InChI=1S/C12H20O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h6-7,10-11H,3-5,8-9H2,1-2H3/b7-6+,11-10+
InChI Key:
IKYQRQZDESYHSL-MVQNEBOGSA-N
SMILES:
CCCC=CCCC=CC(=O)OCC
EC Number:
268-277-2
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:
3.5
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