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68223-13-2 | 4-(Pyridin-3-yl)phenol
CAS No: 68223-13-2 Catalog No: AG00FFWX MDL No:MFCD11932643
Product Description
Catalog Number:
AG00FFWX
Chemical Name:
4-(Pyridin-3-yl)phenol
CAS Number:
68223-13-2
Molecular Formula:
C11H9NO
Molecular Weight:
171.1953
MDL Number:
MFCD11932643
IUPAC Name:
4-pyridin-3-ylphenol
InChI:
InChI=1S/C11H9NO/c13-11-5-3-9(4-6-11)10-2-1-7-12-8-10/h1-8,13H
InChI Key:
WQTVIWDQIXIEOD-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)c1cccnc1
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.068g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.199g/mol
Monoisotopic Mass:
171.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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