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1123-96-2 | Pyridine,2-ethyl-3,5-dimethyl-
CAS No: 1123-96-2 Catalog No: AG007THH MDL No:MFCD00051049
Product Description
Catalog Number:
AG007THH
Chemical Name:
Pyridine,2-ethyl-3,5-dimethyl-
CAS Number:
1123-96-2
Molecular Formula:
C9H13N
Molecular Weight:
135.2062
MDL Number:
MFCD00051049
IUPAC Name:
2-ethyl-3,5-dimethylpyridine
InChI:
InChI=1S/C9H13N/c1-4-9-8(3)5-7(2)6-10-9/h5-6H,4H2,1-3H3
InChI Key:
QLUUXTUCKOZMEL-UHFFFAOYSA-N
SMILES:
CCc1ncc(cc1C)C
EC Number:
214-383-9
UNII:
06CS7VYH7Y
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.105g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
135.21g/mol
Monoisotopic Mass:
135.105g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Identification of components responsible for the odor of cigar smoker's breath. | Journal of agricultural and food chemistry 20060125 |
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