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113556-76-6 | Aziridine, 2-ethynyl-
CAS No: 113556-76-6 Catalog No: AG0008Z7 MDL No:
Product Description
Catalog Number:
AG0008Z7
Chemical Name:
Aziridine, 2-ethynyl-
CAS Number:
113556-76-6
Molecular Formula:
C4H5N
Molecular Weight:
67.0892
IUPAC Name:
2-ethynylaziridine
InChI:
InChI=1S/C4H5N/c1-2-4-3-5-4/h1,4-5H,3H2
InChI Key:
QDYWNLSULCXJQT-UHFFFAOYSA-N
SMILES:
C1NC1C#C
Properties
Complexity:
76.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
67.042g/mol
Formal Charge:
0
Heavy Atom Count:
5
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
67.091g/mol
Monoisotopic Mass:
67.042g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
21.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
Literature
| Title | Journal |
|---|---|
| Enantioselective total synthesis of (+)-lysergic acid, (+)-lysergol, and (+)-isolysergol by palladium-catalyzed domino cyclization of allenes bearing amino and bromoindolyl groups. | The Journal of organic chemistry 20110401 |
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