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Home > Pyridines > 114584-09-7
114584-09-7 | 1H-Inden-6-ol, 3-(4-hydroxyphenyl)-2-(3-pyridinyl)-
CAS No: 114584-09-7 Catalog No: AG000ER8 MDL No:
Product Description
Catalog Number:
AG000ER8
Chemical Name:
1H-Inden-6-ol, 3-(4-hydroxyphenyl)-2-(3-pyridinyl)-
CAS Number:
114584-09-7
Molecular Formula:
C20H15NO2
Molecular Weight:
301.3386
IUPAC Name:
1-(4-hydroxyphenyl)-2-pyridin-3-yl-3H-inden-5-ol
InChI:
InChI=1S/C20H15NO2/c22-16-5-3-13(4-6-16)20-18-8-7-17(23)10-15(18)11-19(20)14-2-1-9-21-12-14/h1-10,12,22-23H,11H2
InChI Key:
XTTOBACUCDXYST-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)C1=C(Cc2c1ccc(c2)O)c1cccnc1
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.11g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
301.345g/mol
Monoisotopic Mass:
301.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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