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131622-40-7 | 1,5,9-Cyclotridecatriene, (E,Z,E)- (9CI)
CAS No: 131622-40-7 Catalog No: AG000ZIU MDL No:
Product Description
Catalog Number:
AG000ZIU
Chemical Name:
1,5,9-Cyclotridecatriene, (E,Z,E)- (9CI)
CAS Number:
131622-40-7
Molecular Formula:
C13H20
Molecular Weight:
176.2979
IUPAC Name:
cyclotrideca-1,5,9-triene
InChI:
InChI=1S/C13H20/c1-2-4-6-8-10-12-13-11-9-7-5-3-1/h1-2,7-10H,3-6,11-13H2
InChI Key:
KUGZTMTXFIAUIL-UHFFFAOYSA-N
SMILES:
C1CC/C=C/CC/C=C\CC/C=C/1
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.157g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.303g/mol
Monoisotopic Mass:
176.157g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
3
XLogP3:
5.1
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