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197901-17-0 | 1-Dodecen-8-yne
CAS No: 197901-17-0 Catalog No: AG002B56 MDL No:
Product Description
Catalog Number:
AG002B56
Chemical Name:
1-Dodecen-8-yne
CAS Number:
197901-17-0
Molecular Formula:
C12H20
Molecular Weight:
164.2872
IUPAC Name:
dodec-1-en-8-yne
InChI:
InChI=1S/C12H20/c1-3-5-7-9-11-12-10-8-6-4-2/h3H,1,4-7,9,11-12H2,2H3
InChI Key:
FCUIMEPCJUVEDN-UHFFFAOYSA-N
SMILES:
CCCC#CCCCCCC=C
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
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:
6
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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