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30413-53-7 | Pyridine, 3-ethynyl-5-methyl-
CAS No: 30413-53-7 Catalog No: AG003028 MDL No:MFCD13175246
Product Description
Catalog Number:
AG003028
Chemical Name:
Pyridine, 3-ethynyl-5-methyl-
CAS Number:
30413-53-7
Molecular Formula:
C8H7N
Molecular Weight:
117.1479
MDL Number:
MFCD13175246
IUPAC Name:
3-ethynyl-5-methylpyridine
InChI:
InChI=1S/C8H7N/c1-3-8-4-7(2)5-9-6-8/h1,4-6H,2H3
InChI Key:
FXIMYOJUVHJRRD-UHFFFAOYSA-N
SMILES:
Cc1cc(cnc1)C#C
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
117.058g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
117.151g/mol
Monoisotopic Mass:
117.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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