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15578-13-9 | 2-Propyn-1-one, 1-(2-furanyl)-
CAS No: 15578-13-9 Catalog No: AG001O76 MDL No:
Product Description
Catalog Number:
AG001O76
Chemical Name:
2-Propyn-1-one, 1-(2-furanyl)-
CAS Number:
15578-13-9
Molecular Formula:
C7H4O2
Molecular Weight:
120.1055
IUPAC Name:
1-(furan-2-yl)prop-2-yn-1-one
InChI:
InChI=1S/C7H4O2/c1-2-6(8)7-4-3-5-9-7/h1,3-5H
InChI Key:
DKPJUPOKDXZYNF-UHFFFAOYSA-N
SMILES:
C#CC(=O)c1ccco1
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
120.021g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
120.107g/mol
Monoisotopic Mass:
120.021g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| Reactivity of the 16e Cp*Co half-sandwich complex containing a chelating 1,2-dicarba-closo-dodecaborane-1,2-dithiolate ligand towards alkynes. | Dalton transactions (Cambridge, England : 2003) 20110314 |
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