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Home > Pyridines > 139054-27-6
139054-27-6 | 1,3-Benzenedimethanol, 5-(3-pyridinyl)-
CAS No: 139054-27-6 Catalog No: AG001A2L MDL No:
Product Description
Catalog Number:
AG001A2L
Chemical Name:
1,3-Benzenedimethanol, 5-(3-pyridinyl)-
CAS Number:
139054-27-6
Molecular Formula:
C13H13NO2
Molecular Weight:
215.2478
IUPAC Name:
[3-(hydroxymethyl)-5-pyridin-3-ylphenyl]methanol
InChI:
InChI=1S/C13H13NO2/c15-8-10-4-11(9-16)6-13(5-10)12-2-1-3-14-7-12/h1-7,15-16H,8-9H2
InChI Key:
SPIFWZNIEYGUCG-UHFFFAOYSA-N
SMILES:
OCc1cc(CO)cc(c1)c1cccnc1
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
215.252g/mol
Monoisotopic Mass:
215.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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