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16654-54-9 | 1-Hexanol, 6-phenoxy-
CAS No: 16654-54-9 Catalog No: AG001WU1 MDL No:
Product Description
Catalog Number:
AG001WU1
Chemical Name:
1-Hexanol, 6-phenoxy-
CAS Number:
16654-54-9
Molecular Formula:
C12H18O2
Molecular Weight:
194.2701
IUPAC Name:
6-phenoxyhexan-1-ol
InChI:
InChI=1S/C12H18O2/c13-10-6-1-2-7-11-14-12-8-4-3-5-9-12/h3-5,8-9,13H,1-2,6-7,10-11H2
InChI Key:
KGAAHYOKTFZJFD-UHFFFAOYSA-N
SMILES:
OCCCCCCOc1ccccc1
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.274g/mol
Monoisotopic Mass:
194.131g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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