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Home > Pyridines > 887974-34-7
887974-34-7 | 3-(5-(Hydroxymethyl)pyridin-2-yl)benzonitrile
CAS No: 887974-34-7 Catalog No: AG004CTC MDL No:MFCD06410453
Product Description
Catalog Number:
AG004CTC
Chemical Name:
3-(5-(Hydroxymethyl)pyridin-2-yl)benzonitrile
CAS Number:
887974-34-7
Molecular Formula:
C13H10N2O
Molecular Weight:
210.2313
MDL Number:
MFCD06410453
IUPAC Name:
3-[5-(hydroxymethyl)pyridin-2-yl]benzonitrile
InChI:
InChI=1S/C13H10N2O/c14-7-10-2-1-3-12(6-10)13-5-4-11(9-16)8-15-13/h1-6,8,16H,9H2
InChI Key:
WWSMPTLEWQCUPC-UHFFFAOYSA-N
SMILES:
OCc1ccc(nc1)c1cccc(c1)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:
1.3
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