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872-27-5 | 1,7,13,19-EICOSATETRAYNE
CAS No: 872-27-5 Catalog No: AG004RPE MDL No:
Product Description
Catalog Number:
AG004RPE
Chemical Name:
1,7,13,19-EICOSATETRAYNE
CAS Number:
872-27-5
Molecular Formula:
C20H26
Molecular Weight:
266.4204
IUPAC Name:
icosa-1,7,13,19-tetrayne
InChI:
InChI=1S/C20H26/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h1-2H,5-12,17-20H2
InChI Key:
IGIBMDAYUGTBTI-UHFFFAOYSA-N
SMILES:
C#CCCCCC#CCCCCC#CCCCCC#C
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.203g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.428g/mol
Monoisotopic Mass:
266.203g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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