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1191-94-2 | Cyclobutyne
CAS No: 1191-94-2 Catalog No: AG000I7A MDL No:
Product Description
Catalog Number:
AG000I7A
Chemical Name:
Cyclobutyne
CAS Number:
1191-94-2
Molecular Formula:
C4H4
Molecular Weight:
52.0746
IUPAC Name:
cyclobutyne
InChI:
InChI=1S/C4H4/c1-2-4-3-1/h1-2H2
InChI Key:
DRFGMUMDUXDALH-UHFFFAOYSA-N
SMILES:
C1CC#C1
Properties
Complexity:
60.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
52.031g/mol
Formal Charge:
0
Heavy Atom Count:
4
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
52.076g/mol
Monoisotopic Mass:
52.031g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| Synthesis of isoquinoline derivatives using ROM-RCM of cyclobutene-yne. | The Journal of organic chemistry 20050204 |
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