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1349715-66-7

1349715-66-7 | 3-(6-Cyanopyridin-3-yl)benzyl alcohol

CAS No: 1349715-66-7 Catalog No: AG01FD1G MDL No:

Product Description

Catalog Number:
AG01FD1G
Chemical Name:
3-(6-Cyanopyridin-3-yl)benzyl alcohol
CAS Number:
1349715-66-7
Molecular Formula:
C13H10N2O
Molecular Weight:
210.2313
IUPAC Name:
5-[3-(hydroxymethyl)phenyl]pyridine-2-carbonitrile
InChI:
InChI=1S/C13H10N2O/c14-7-13-5-4-12(8-15-13)11-3-1-2-10(6-11)9-16/h1-6,8,16H,9H2
InChI Key:
SEHCLBAWERYHDQ-UHFFFAOYSA-N
SMILES:
OCc1cccc(c1)c1ccc(nc1)C#N

Properties

Complexity:
270  
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:
1.6  

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