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84533-97-1 | Benzenemethanol, a-hexyl-a-methyl-3-(phenylmethoxy)-
CAS No: 84533-97-1 Catalog No: AG004VIW MDL No:MFCD03844662
Product Description
Catalog Number:
AG004VIW
Chemical Name:
Benzenemethanol, a-hexyl-a-methyl-3-(phenylmethoxy)-
CAS Number:
84533-97-1
Molecular Formula:
C21H28O2
Molecular Weight:
312.4458
MDL Number:
MFCD03844662
IUPAC Name:
2-(3-phenylmethoxyphenyl)octan-2-ol
InChI:
InChI=1S/C21H28O2/c1-3-4-5-9-15-21(2,22)19-13-10-14-20(16-19)23-17-18-11-7-6-8-12-18/h6-8,10-14,16,22H,3-5,9,15,17H2,1-2H3
InChI Key:
GJOZFCGJRJJJSJ-UHFFFAOYSA-N
SMILES:
CCCCCCC(c1cccc(c1)OCc1ccccc1)(O)C
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.209g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
312.453g/mol
Monoisotopic Mass:
312.209g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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