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86520-95-8 | 4-ETHYNYL-2,6-DIMETHYL-PYRIDINE
CAS No: 86520-95-8 Catalog No: AG01DWQU MDL No:MFCD11109680
Product Description
Catalog Number:
AG01DWQU
Chemical Name:
4-ETHYNYL-2,6-DIMETHYL-PYRIDINE
CAS Number:
86520-95-8
Molecular Formula:
C9H9N
Molecular Weight:
131.1745
MDL Number:
MFCD11109680
IUPAC Name:
4-ethynyl-2,6-dimethylpyridine
InChI:
InChI=1S/C9H9N/c1-4-9-5-7(2)10-8(3)6-9/h1,5-6H,2-3H3
InChI Key:
GADAGOMYXYMHKZ-UHFFFAOYSA-N
SMILES:
C#Cc1cc(C)nc(c1)C
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
131.073g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
131.178g/mol
Monoisotopic Mass:
131.073g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Intramolecular Lewis acid-base pairs based on 4-ethynyl-2,6-lutidine. | Dalton transactions (Cambridge, England : 2003) 20120814 |
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