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102103-77-5 | 2,4,6-Octatrienoic acid, 2,4,6-trimethyl-, ethyl ester, (2E,4E,6E)-
CAS No: 102103-77-5 Catalog No: AG0006NA MDL No:
Product Description
Catalog Number:
AG0006NA
Chemical Name:
2,4,6-Octatrienoic acid, 2,4,6-trimethyl-, ethyl ester, (2E,4E,6E)-
CAS Number:
102103-77-5
Molecular Formula:
C13H20O2
Molecular Weight:
208.2967
IUPAC Name:
ethyl 2,4,6-trimethylocta-2,4,6-trienoate
InChI:
InChI=1S/C13H20O2/c1-6-10(3)8-11(4)9-12(5)13(14)15-7-2/h6,8-9H,7H2,1-5H3
InChI Key:
PRPMAUVDRNJQPN-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C(=C/C(=C/C(=C/C)/C)/C)/C
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.146g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.301g/mol
Monoisotopic Mass:
208.146g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3
XLogP3:
4.2
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