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100451-98-7 | 5,9-Undecadien-1-yne, 6,10-dimethyl-
CAS No: 100451-98-7 Catalog No: AG00020Q MDL No:
Product Description
Catalog Number:
AG00020Q
Chemical Name:
5,9-Undecadien-1-yne, 6,10-dimethyl-
CAS Number:
100451-98-7
Molecular Formula:
C13H20
Molecular Weight:
176.2979
IUPAC Name:
6,10-dimethylundeca-5,9-dien-1-yne
InChI:
InChI=1S/C13H20/c1-5-6-7-10-13(4)11-8-9-12(2)3/h1,9-10H,6-8,11H2,2-4H3
InChI Key:
GNOQEXWKRHKDKA-UHFFFAOYSA-N
SMILES:
C#CCCC=C(CCC=C(C)C)C
Properties
Complexity:
228
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:
5
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.6
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