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Home > Fluorides > 116058-31-2
116058-31-2 | 1,6,10-Dodecatrien-3-ol, 6-fluoro-3,7,11-trimethyl-, (Z)- (9CI)
CAS No: 116058-31-2 Catalog No: AG000BIY MDL No:
Product Description
Catalog Number:
AG000BIY
Chemical Name:
1,6,10-Dodecatrien-3-ol, 6-fluoro-3,7,11-trimethyl-, (Z)- (9CI)
CAS Number:
116058-31-2
Molecular Formula:
C15H25FO
Molecular Weight:
240.3568
IUPAC Name:
6-fluoro-3,7,11-trimethyldodeca-1,6,10-trien-3-ol
InChI:
InChI=1S/C15H25FO/c1-6-15(5,17)11-10-14(16)13(4)9-7-8-12(2)3/h6,8,17H,1,7,9-11H2,2-5H3
InChI Key:
BMOUSABVEZFYAR-UHFFFAOYSA-N
SMILES:
C=CC(CC/C(=C(/CCC=C(C)C)\C)/F)(O)C
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.189g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.362g/mol
Monoisotopic Mass:
240.189g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
4.5
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