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856335-30-3 | 1-Octanol, 8-phenoxy-
CAS No: 856335-30-3 Catalog No: AG004Q77 MDL No:
Product Description
Catalog Number:
AG004Q77
Chemical Name:
1-Octanol, 8-phenoxy-
CAS Number:
856335-30-3
Molecular Formula:
C14H22O2
Molecular Weight:
222.3233
IUPAC Name:
8-phenoxyoctan-1-ol
InChI:
InChI=1S/C14H22O2/c15-12-8-3-1-2-4-9-13-16-14-10-6-5-7-11-14/h5-7,10-11,15H,1-4,8-9,12-13H2
InChI Key:
ICXMSRLCKXBFEN-UHFFFAOYSA-N
SMILES:
OCCCCCCCCOc1ccccc1
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.162g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.328g/mol
Monoisotopic Mass:
222.162g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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