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89155-84-0 | 2,4,6-Octatrienoic acid, 3,7-dimethyl-, ethyl ester, (Z,E)-
CAS No: 89155-84-0 Catalog No: AG003WYM MDL No:
Product Description
Catalog Number:
AG003WYM
Chemical Name:
2,4,6-Octatrienoic acid, 3,7-dimethyl-, ethyl ester, (Z,E)-
CAS Number:
89155-84-0
Molecular Formula:
C12H18O2
Molecular Weight:
194.2701
IUPAC Name:
ethyl 3,7-dimethylocta-2,4,6-trienoate
InChI:
InChI=1S/C12H18O2/c1-5-14-12(13)9-11(4)8-6-7-10(2)3/h6-9H,5H2,1-4H3
InChI Key:
UKSPDWVQMDPTNW-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C=C(\C=C\C=C(C)C)/C
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.274g/mol
Monoisotopic Mass:
194.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
3.8
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