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13721-54-5 | 1-Hexen-3-yne
CAS No: 13721-54-5 Catalog No: AG0012YP MDL No:
Product Description
Catalog Number:
AG0012YP
Chemical Name:
1-Hexen-3-yne
CAS Number:
13721-54-5
Molecular Formula:
C6H8
Molecular Weight:
80.1277
IUPAC Name:
hex-1-en-3-yne
InChI:
InChI=1S/C6H8/c1-3-5-6-4-2/h3H,1,4H2,2H3
InChI Key:
BYSRUWKGUGERFI-UHFFFAOYSA-N
SMILES:
CCC#CC=C
Properties
Complexity:
87.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
80.063g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
80.13g/mol
Monoisotopic Mass:
80.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Formation study and X-ray structures of dinuclear beta-diketonate copper(I) complexes with conjugated ene-yne Lewis base. Implications for the use of (hfac)Cu(MHY) as a precursor for copper CVD. | Inorganic chemistry 20011119 |
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