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127337-26-2 | 4-Cyclododecene-1,7-diyne, (4Z)-
CAS No: 127337-26-2 Catalog No: AG000WWZ MDL No:
Product Description
Catalog Number:
AG000WWZ
Chemical Name:
4-Cyclododecene-1,7-diyne, (4Z)-
CAS Number:
127337-26-2
Molecular Formula:
C12H14
Molecular Weight:
158.2396
IUPAC Name:
cyclododec-4-en-1,7-diyne
InChI:
InChI=1S/C12H14/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2H,3-4,9-12H2
InChI Key:
BMXTZRAKSADZRE-UHFFFAOYSA-N
SMILES:
C1CCC#CC/C=C\CC#CC1
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.11g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.244g/mol
Monoisotopic Mass:
158.11g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.8
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