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144168-38-7 | Cyclododecatriene, 4-butyl- (9CI)
CAS No: 144168-38-7 Catalog No: AG001J26 MDL No:
Product Description
Catalog Number:
AG001J26
Chemical Name:
Cyclododecatriene, 4-butyl- (9CI)
CAS Number:
144168-38-7
Molecular Formula:
C16H26
Molecular Weight:
218.3776
IUPAC Name:
3-butylcyclododeca-1,3,5-triene
InChI:
InChI=1S/C16H26/c1-2-3-13-16-14-11-9-7-5-4-6-8-10-12-15-16/h9,11-12,14-15H,2-8,10,13H2,1H3
InChI Key:
HLXKEGUJCDHKQN-UHFFFAOYSA-N
SMILES:
CCCCC1=CC=CCCCCCCC=C1
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.203g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.384g/mol
Monoisotopic Mass:
218.203g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3
XLogP3:
6.6
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