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2306-78-7 | 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, 3-acetate
CAS No: 2306-78-7 Catalog No: AG002M22 MDL No:
Product Description
Catalog Number:
AG002M22
Chemical Name:
1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, 3-acetate
CAS Number:
2306-78-7
Molecular Formula:
C17H28O2
Molecular Weight:
264.4030
IUPAC Name:
[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl] acetate
InChI:
InChI=1S/C17H28O2/c1-7-17(6,19-16(5)18)13-9-12-15(4)11-8-10-14(2)3/h7,10,12H,1,8-9,11,13H2,2-6H3/b15-12+
InChI Key:
PRNJXUQTUSFYLV-NTCAYCPXSA-N
SMILES:
C=CC(OC(=O)C)(CCC=C(CCC=C(C)C)C)C
EC Number:
218-978-4
NSC Number:
72036
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
264.209g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.409g/mol
Monoisotopic Mass:
264.209g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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