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88170-39-2 | 2-Tridecyn-1-ol, 13-[(tetrahydro-2H-pyran-2-yl)oxy]-
CAS No: 88170-39-2 Catalog No: AG004FJH MDL No:
Product Description
Catalog Number:
AG004FJH
Chemical Name:
2-Tridecyn-1-ol, 13-[(tetrahydro-2H-pyran-2-yl)oxy]-
CAS Number:
88170-39-2
Molecular Formula:
C18H32O3
Molecular Weight:
296.4449
IUPAC Name:
13-(oxan-2-yloxy)tridec-2-yn-1-ol
InChI:
InChI=1S/C18H32O3/c19-15-11-8-6-4-2-1-3-5-7-9-12-16-20-18-14-10-13-17-21-18/h18-19H,1-7,9-10,12-17H2
InChI Key:
NJGLGEYUTSMLGS-UHFFFAOYSA-N
SMILES:
OCC#CCCCCCCCCCCOC1CCCCO1
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.235g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.451g/mol
Monoisotopic Mass:
296.235g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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