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Home > Pyridines > 1349717-61-8
1349717-61-8 | 4-(5-Cyanopyridin-3-yl)benzyl alcohol
CAS No: 1349717-61-8 Catalog No: AG01FD1S MDL No:
Product Description
Catalog Number:
AG01FD1S
Chemical Name:
4-(5-Cyanopyridin-3-yl)benzyl alcohol
CAS Number:
1349717-61-8
Molecular Formula:
C13H10N2O
Molecular Weight:
210.2313
IUPAC Name:
5-[4-(hydroxymethyl)phenyl]pyridine-3-carbonitrile
InChI:
InChI=1S/C13H10N2O/c14-6-11-5-13(8-15-7-11)12-3-1-10(9-16)2-4-12/h1-5,7-8,16H,9H2
InChI Key:
KTGDRRHKXOFRSM-UHFFFAOYSA-N
SMILES:
OCc1ccc(cc1)c1cncc(c1)C#N
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.079g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.236g/mol
Monoisotopic Mass:
210.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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