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16336-82-6 | 5-Dodecen-7-yne, (5E)-
CAS No: 16336-82-6 Catalog No: AG001U2H MDL No:
Product Description
Catalog Number:
AG001U2H
Chemical Name:
5-Dodecen-7-yne, (5E)-
CAS Number:
16336-82-6
Molecular Formula:
C12H20
Molecular Weight:
164.2872
IUPAC Name:
(E)-dodec-5-en-7-yne
InChI:
InChI=1S/C12H20/c1-3-5-7-9-11-12-10-8-6-4-2/h9,11H,3-8H2,1-2H3/b11-9+
InChI Key:
RAWCIZOYSXHPJN-PKNBQFBNSA-N
SMILES:
CCCC/C=C/C#CCCCC
NSC Number:
244880
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
164.157g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.292g/mol
Monoisotopic Mass:
164.157g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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