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80653-80-1 | 3-(pyridin-4-yl)phenol
CAS No: 80653-80-1 Catalog No: AG01AN33 MDL No:MFCD17677605
Product Description
Catalog Number:
AG01AN33
Chemical Name:
3-(pyridin-4-yl)phenol
CAS Number:
80653-80-1
Molecular Formula:
C11H9NO
Molecular Weight:
171.1953
MDL Number:
MFCD17677605
IUPAC Name:
3-pyridin-4-ylphenol
InChI:
InChI=1S/C11H9NO/c13-11-3-1-2-10(8-11)9-4-6-12-7-5-9/h1-8,13H
InChI Key:
PHCYRGIPHDLGCF-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1)c1ccncc1
Properties
Complexity:
154
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:
2.2
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