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16569-02-1 | 2-Pyridinecarbonitrile, 4-ethoxy-
CAS No: 16569-02-1 Catalog No: AG001WBF MDL No:
Product Description
Catalog Number:
AG001WBF
Chemical Name:
2-Pyridinecarbonitrile, 4-ethoxy-
CAS Number:
16569-02-1
Molecular Formula:
C8H8N2O
Molecular Weight:
148.1619
IUPAC Name:
4-ethoxypyridine-2-carbonitrile
InChI:
InChI=1S/C8H8N2O/c1-2-11-8-3-4-10-7(5-8)6-9/h3-5H,2H2,1H3
InChI Key:
NZVDQJFLEZFFFS-UHFFFAOYSA-N
SMILES:
CCOc1ccnc(c1)C#N
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.064g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.165g/mol
Monoisotopic Mass:
148.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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