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139565-87-0

139565-87-0 | 3,5-Octadiyne-2,7-dione

CAS No: 139565-87-0 Catalog No: AG001B9W MDL No:

Product Description

Catalog Number:
AG001B9W
Chemical Name:
3,5-Octadiyne-2,7-dione
CAS Number:
139565-87-0
Molecular Formula:
C8H6O2
Molecular Weight:
134.1320
IUPAC Name:
octa-3,5-diyne-2,7-dione
InChI:
InChI=1S/C8H6O2/c1-7(9)5-3-4-6-8(2)10/h1-2H3
InChI Key:
GNIPZQAYKNGALN-UHFFFAOYSA-N
SMILES:
CC(=O)C#CC#CC(=O)C

Properties

Complexity:
252  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.037g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
134.134g/mol
Monoisotopic Mass:
134.037g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  

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