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113814-28-1 | Triacontatriene
CAS No: 113814-28-1 Catalog No: AG0009R8 MDL No:
Product Description
Catalog Number:
AG0009R8
Chemical Name:
Triacontatriene
CAS Number:
113814-28-1
Molecular Formula:
C30H56
Molecular Weight:
416.7656
IUPAC Name:
triaconta-1,3,5-triene
InChI:
InChI=1S/C30H56/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3,5,7,9,11H,1,4,6,8,10,12-30H2,2H3
InChI Key:
XQBTUIXXRLLZLQ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCC=CC=CC=C
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
416.438g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
416.778g/mol
Monoisotopic Mass:
416.438g/mol
Rotatable Bond Count:
25
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
15.1
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