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529-21-5 | 3-Ethyl-4-methylpyridine
CAS No: 529-21-5 Catalog No: AG003JEK MDL No:MFCD00014638
Product Description
Catalog Number:
AG003JEK
Chemical Name:
3-Ethyl-4-methylpyridine
CAS Number:
529-21-5
Molecular Formula:
C8H11N
Molecular Weight:
121.1796
MDL Number:
MFCD00014638
IUPAC Name:
3-ethyl-4-methylpyridine
InChI:
InChI=1S/C8H11N/c1-3-8-6-9-5-4-7(8)2/h4-6H,3H2,1-2H3
InChI Key:
JDQNYWYMNFRKNQ-UHFFFAOYSA-N
SMILES:
CCc1cnccc1C
EC Number:
208-453-8
UNII:
4I7CCZ440O
NSC Number:
62016
Properties
Complexity:
80.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
121.089g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
121.183g/mol
Monoisotopic Mass:
121.089g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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