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24641-06-3 | 3-Pyridinecarboxylic acid, 2-propyn-1-yl ester
CAS No: 24641-06-3 Catalog No: AG002OWJ MDL No:MFCD00102322
Product Description
Catalog Number:
AG002OWJ
Chemical Name:
3-Pyridinecarboxylic acid, 2-propyn-1-yl ester
CAS Number:
24641-06-3
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
MDL Number:
MFCD00102322
IUPAC Name:
prop-2-ynyl pyridine-3-carboxylate
InChI:
InChI=1S/C9H7NO2/c1-2-6-12-9(11)8-4-3-5-10-7-8/h1,3-5,7H,6H2
InChI Key:
RIWRVCGSWRVFIZ-UHFFFAOYSA-N
SMILES:
C#CCOC(=O)c1cccnc1
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.048g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.16g/mol
Monoisotopic Mass:
161.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| (1-Phenyl-1H-1,2,3-triazol-4-yl)methyl pyridine-3-carboxyl-ate. | Acta crystallographica. Section E, Structure reports online 20100701 |
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