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19894-79-2 | Propanedioic acid, 2-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-, 1,3-diethyl ester
CAS No: 19894-79-2 Catalog No: AG002BTH MDL No:
Product Description
Catalog Number:
AG002BTH
Chemical Name:
Propanedioic acid, 2-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-, 1,3-diethyl ester
CAS Number:
19894-79-2
Molecular Formula:
C17H28O4
Molecular Weight:
296.4018
IUPAC Name:
diethyl 2-[(2E)-3,7-dimethylocta-2,6-dienyl]propanedioate
InChI:
InChI=1S/C17H28O4/c1-6-20-16(18)15(17(19)21-7-2)12-11-14(5)10-8-9-13(3)4/h9,11,15H,6-8,10,12H2,1-5H3/b14-11+
InChI Key:
CNARYHFSSZYVQJ-SDNWHVSQSA-N
SMILES:
CCOC(=O)C(C(=O)OCC)C/C=C(/CCC=C(C)C)\C
EC Number:
243-408-6
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
296.199g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.407g/mol
Monoisotopic Mass:
296.199g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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