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20023-57-8 | 1,3,5-Octatrien-7-yne
CAS No: 20023-57-8 Catalog No: AG002CMV MDL No:
Product Description
Catalog Number:
AG002CMV
Chemical Name:
1,3,5-Octatrien-7-yne
CAS Number:
20023-57-8
Molecular Formula:
C8H8
Molecular Weight:
104.1491
IUPAC Name:
octa-1,3,5-trien-7-yne
InChI:
InChI=1S/C8H8/c1-3-5-7-8-6-4-2/h1,4-8H,2H2
InChI Key:
WUFYGWQBYHFXBY-UHFFFAOYSA-N
SMILES:
C=CC=CC=CC#C
Properties
Complexity:
150
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:
2
XLogP3:
2.6
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