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94208-81-8 | a-4-Pyridyl-a-(4-pyridylmethyl)benzyl alcohol
CAS No: 94208-81-8 Catalog No: AG01F8WM MDL No:MFCD02930732
Product Description
Catalog Number:
AG01F8WM
Chemical Name:
a-4-Pyridyl-a-(4-pyridylmethyl)benzyl alcohol
CAS Number:
94208-81-8
Molecular Formula:
C18H16N2O
Molecular Weight:
276.3324
MDL Number:
MFCD02930732
IUPAC Name:
1-phenyl-1,2-dipyridin-4-ylethanol
InChI:
InChI=1S/C18H16N2O/c21-18(16-4-2-1-3-5-16,17-8-12-20-13-9-17)14-15-6-10-19-11-7-15/h1-13,21H,14H2
InChI Key:
WKKZQTNBLFZMMN-UHFFFAOYSA-N
SMILES:
OC(c1ccncc1)(c1ccccc1)Cc1ccncc1
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.126g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.339g/mol
Monoisotopic Mass:
276.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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