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144314-90-9 | 2,6,8-Undecatrien-1-ol, 3,7-dimethyl-, acetate, (E,Z,E)- (9CI)
CAS No: 144314-90-9 Catalog No: AG001JB0 MDL No:
Product Description
Catalog Number:
AG001JB0
Chemical Name:
2,6,8-Undecatrien-1-ol, 3,7-dimethyl-, acetate, (E,Z,E)- (9CI)
CAS Number:
144314-90-9
Molecular Formula:
C15H24O2
Molecular Weight:
236.3499
IUPAC Name:
acetic acid;3,7-dimethylundeca-2,6,8-trien-1-ol
InChI:
InChI=1S/C13H22O.C2H4O2/c1-4-5-7-12(2)8-6-9-13(3)10-11-14;1-2(3)4/h5,7-8,10,14H,4,6,9,11H2,1-3H3;1H3,(H,3,4)
InChI Key:
PSXLZFDEAXYAHW-UHFFFAOYSA-N
SMILES:
CC/C=C/C(=C\CC/C(=C/COC(=O)C)/C)/C
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.188g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
254.37g/mol
Monoisotopic Mass:
254.188g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3
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