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2345-16-6 | 1,11-Tridecadiene-3,5,7,9-tetrayne
CAS No: 2345-16-6 Catalog No: AG002NAB MDL No:
Product Description
Catalog Number:
AG002NAB
Chemical Name:
1,11-Tridecadiene-3,5,7,9-tetrayne
CAS Number:
2345-16-6
Molecular Formula:
C13H8
Molecular Weight:
164.2026
IUPAC Name:
trideca-1,11-dien-3,5,7,9-tetrayne
InChI:
InChI=1S/C13H8/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-4,6H,1H2,2H3
InChI Key:
KBEMPFYJJCTZIG-UHFFFAOYSA-N
SMILES:
CC=CC#CC#CC#CC#CC=C
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.207g/mol
Monoisotopic Mass:
164.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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