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69605-90-9 | [1,1'-Biphenyl]-3-ylmethanol
CAS No: 69605-90-9 Catalog No: AG005K21 MDL No:MFCD08703631
Product Description
Catalog Number:
AG005K21
Chemical Name:
[1,1'-Biphenyl]-3-ylmethanol
CAS Number:
69605-90-9
Molecular Formula:
C13H12O
Molecular Weight:
184.2338
MDL Number:
MFCD08703631
IUPAC Name:
(3-phenylphenyl)methanol
InChI:
InChI=1S/C13H12O/c14-10-11-5-4-8-13(9-11)12-6-2-1-3-7-12/h1-9,14H,10H2
InChI Key:
WGUZZTGZDPJWSG-UHFFFAOYSA-N
SMILES:
OCc1cccc(c1)c1ccccc1
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.089g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
184.238g/mol
Monoisotopic Mass:
184.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Diflunisal analogues stabilize the native state of transthyretin. Potent inhibition of amyloidogenesis. | Journal of medicinal chemistry 20040115 |
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