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188568-13-0 | 2,6-Octadien-1-ol, 7-(1,3-dioxolan-2-yl)-3-methyl-, 1-acetate, (2E,6E)-
CAS No: 188568-13-0 Catalog No: AG002GZL MDL No:
Product Description
Catalog Number:
AG002GZL
Chemical Name:
2,6-Octadien-1-ol, 7-(1,3-dioxolan-2-yl)-3-methyl-, 1-acetate, (2E,6E)-
CAS Number:
188568-13-0
Molecular Formula:
C14H22O4
Molecular Weight:
254.3221
IUPAC Name:
acetic acid;7-(1,3-dioxolan-2-yl)-3-methylocta-2,6-dien-1-ol
InChI:
InChI=1S/C12H20O3.C2H4O2/c1-10(6-7-13)4-3-5-11(2)12-14-8-9-15-12;1-2(3)4/h5-6,12-13H,3-4,7-9H2,1-2H3;1H3,(H,3,4)
InChI Key:
XOYROIAZKFEOQH-UHFFFAOYSA-N
SMILES:
CC(=O)OC/C=C(/CC/C=C(/C1OCCO1)\C)\C
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.162g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
272.341g/mol
Monoisotopic Mass:
272.162g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
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