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139260-52-9 | 1-Undecen-3-ol, 11-[(tetrahydro-2H-pyran-2-yl)oxy]-
CAS No: 139260-52-9 Catalog No: AG001AKF MDL No:
Product Description
Catalog Number:
AG001AKF
Chemical Name:
1-Undecen-3-ol, 11-[(tetrahydro-2H-pyran-2-yl)oxy]-
CAS Number:
139260-52-9
Molecular Formula:
C16H30O3
Molecular Weight:
270.4076
IUPAC Name:
11-(oxan-2-yloxy)undec-1-en-3-ol
InChI:
InChI=1S/C16H30O3/c1-2-15(17)11-7-5-3-4-6-9-13-18-16-12-8-10-14-19-16/h2,15-17H,1,3-14H2
InChI Key:
LHBXXTCYFDIGGA-UHFFFAOYSA-N
SMILES:
C=CC(CCCCCCCCOC1CCCCO1)O
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.219g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.413g/mol
Monoisotopic Mass:
270.219g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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