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499187-53-0 | Pyridine, 2-ethynyl-5-methyl-, 1-oxide (9CI)
CAS No: 499187-53-0 Catalog No: AG00DKSL MDL No:
Product Description
Catalog Number:
AG00DKSL
Chemical Name:
Pyridine, 2-ethynyl-5-methyl-, 1-oxide (9CI)
CAS Number:
499187-53-0
IUPAC Name:
2-ethynyl-5-methyl-1-oxidopyridin-1-ium
InChI:
InChI=1S/C8H7NO/c1-3-8-5-4-7(2)6-9(8)10/h1,4-6H,2H3
InChI Key:
QHKMSCJGDWVNQX-UHFFFAOYSA-N
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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