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100758-27-8 | 4-Octene-1,7-diyne, (4Z)-
CAS No: 100758-27-8 Catalog No: AG0002TR MDL No:
Product Description
Catalog Number:
AG0002TR
Chemical Name:
4-Octene-1,7-diyne, (4Z)-
CAS Number:
100758-27-8
Molecular Formula:
C8H8
Molecular Weight:
104.1491
IUPAC Name:
oct-4-en-1,7-diyne
InChI:
InChI=1S/C8H8/c1-3-5-7-8-6-4-2/h1-2,7-8H,5-6H2
InChI Key:
RMGAOIVEDWMDFK-UHFFFAOYSA-N
SMILES:
C#CC/C=C\CC#C
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
104.063g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
104.152g/mol
Monoisotopic Mass:
104.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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