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89820-45-1 | Benzenemethanol, 3-(dodecyloxy)-
CAS No: 89820-45-1 Catalog No: AG003Z65 MDL No:
Product Description
Catalog Number:
AG003Z65
Chemical Name:
Benzenemethanol, 3-(dodecyloxy)-
CAS Number:
89820-45-1
Molecular Formula:
C19H32O2
Molecular Weight:
292.4562
IUPAC Name:
(3-dodecoxyphenyl)methanol
InChI:
InChI=1S/C19H32O2/c1-2-3-4-5-6-7-8-9-10-11-15-21-19-14-12-13-18(16-19)17-20/h12-14,16,20H,2-11,15,17H2,1H3
InChI Key:
PWBQCSBODNQVAR-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCOc1cccc(c1)CO
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.24g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
292.463g/mol
Monoisotopic Mass:
292.24g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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