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78790-76-8 | 3-(benzyloxy)pyridine-4-carbonitrile
CAS No: 78790-76-8 Catalog No: AG00IQD2 MDL No:MFCD23617692
Product Description
Catalog Number:
AG00IQD2
Chemical Name:
3-(benzyloxy)pyridine-4-carbonitrile
CAS Number:
78790-76-8
Molecular Formula:
C13H10N2O
Molecular Weight:
210.2313
MDL Number:
MFCD23617692
IUPAC Name:
3-phenylmethoxypyridine-4-carbonitrile
InChI:
InChI=1S/C13H10N2O/c14-8-12-6-7-15-9-13(12)16-10-11-4-2-1-3-5-11/h1-7,9H,10H2
InChI Key:
PNUBCWYZPDVCNL-UHFFFAOYSA-N
SMILES:
N#Cc1ccncc1OCc1ccccc1
Properties
Complexity:
252
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:
0
Isotope Atom Count:
0
Molecular Weight:
210.236g/mol
Monoisotopic Mass:
210.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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