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58515-54-1 | 2-Cyano-3-ethylpyridine
CAS No: 58515-54-1 Catalog No: AG00EG51 MDL No:MFCD05982125
Product Description
Catalog Number:
AG00EG51
Chemical Name:
2-Cyano-3-ethylpyridine
CAS Number:
58515-54-1
Molecular Formula:
C8H8N2
Molecular Weight:
132.1625
MDL Number:
MFCD05982125
IUPAC Name:
3-ethylpyridine-2-carbonitrile
InChI:
InChI=1S/C8H8N2/c1-2-7-4-3-5-10-8(7)6-9/h3-5H,2H2,1H3
InChI Key:
COPNNCNAIOAIDF-UHFFFAOYSA-N
SMILES:
CCc1cccnc1C#N
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.069g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
132.166g/mol
Monoisotopic Mass:
132.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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