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162358-05-6 | Benzeneethanol, 4-octyl-
CAS No: 162358-05-6 Catalog No: AG001T13 MDL No:MFCD09753531
Product Description
Catalog Number:
AG001T13
Chemical Name:
Benzeneethanol, 4-octyl-
CAS Number:
162358-05-6
Molecular Formula:
C16H26O
Molecular Weight:
234.3770
MDL Number:
MFCD09753531
IUPAC Name:
2-(4-octylphenyl)ethanol
InChI:
InChI=1S/C16H26O/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)13-14-17/h9-12,17H,2-8,13-14H2,1H3
InChI Key:
BUVAWTAMOZOVNN-UHFFFAOYSA-N
SMILES:
CCCCCCCCc1ccc(cc1)CCO
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.198g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.383g/mol
Monoisotopic Mass:
234.198g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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