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88736-96-3 | 1,17-Octadecadiyne
CAS No: 88736-96-3 Catalog No: AG004D21 MDL No:
Product Description
Catalog Number:
AG004D21
Chemical Name:
1,17-Octadecadiyne
CAS Number:
88736-96-3
Molecular Formula:
C18H30
Molecular Weight:
246.4308
IUPAC Name:
octadeca-1,17-diyne
InChI:
InChI=1S/C18H30/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h1-2H,5-18H2
InChI Key:
YLWUPCQZCQHRCH-UHFFFAOYSA-N
SMILES:
C#CCCCCCCCCCCCCCCC#C
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.235g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.438g/mol
Monoisotopic Mass:
246.235g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.9
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