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36281-70-6 | 1-(prop-2-yn-1-yl)-1,2-dihydropyridin-2-one
CAS No: 36281-70-6 Catalog No: AG01BJ9X MDL No:MFCD14631687
Product Description
Catalog Number:
AG01BJ9X
Chemical Name:
1-(prop-2-yn-1-yl)-1,2-dihydropyridin-2-one
CAS Number:
36281-70-6
Molecular Formula:
C8H7NO
Molecular Weight:
133.1473
MDL Number:
MFCD14631687
IUPAC Name:
1-prop-2-ynylpyridin-2-one
InChI:
InChI=1S/C8H7NO/c1-2-6-9-7-4-3-5-8(9)10/h1,3-5,7H,6H2
InChI Key:
GEXWKZJAHOEBHN-UHFFFAOYSA-N
SMILES:
C#CCn1ccccc1=O
Properties
Complexity:
241
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:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| Synthesis of indeno-fused derivatives of quinolizinium salts, imidazo[1,2-a]pyridine, pyrido[1,2-a]indole, and 4h-quinolizin-4-one via benzannulated enyne-allenes. | The Journal of organic chemistry 20050819 |
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