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27509-27-9 | Pyridine, 5-ethynyl-2-methyl-, 1-oxide
CAS No: 27509-27-9 Catalog No: AG002TYN MDL No:
Product Description
Catalog Number:
AG002TYN
Chemical Name:
Pyridine, 5-ethynyl-2-methyl-, 1-oxide
CAS Number:
27509-27-9
Molecular Formula:
C8H7NO
Molecular Weight:
133.1473
IUPAC Name:
5-ethynyl-2-methyl-1-oxidopyridin-1-ium
InChI:
InChI=1S/C8H7NO/c1-3-8-5-4-7(2)9(10)6-8/h1,4-6H,2H3
InChI Key:
QRPYICIVTREBHK-UHFFFAOYSA-N
SMILES:
C#Cc1ccc([n+](c1)[O-])C
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
133.053g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
133.15g/mol
Monoisotopic Mass:
133.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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