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Home > Other Heterocycles > 192724-45-1
192724-45-1 | 1,6-Dioxaspiro[4.4]non-3-ene, 2-(9,11-tridecadiyn-1-ylidene)-, (2Z)-
CAS No: 192724-45-1 Catalog No: AG002G9P MDL No:
Product Description
Catalog Number:
AG002G9P
Chemical Name:
1,6-Dioxaspiro[4.4]non-3-ene, 2-(9,11-tridecadiyn-1-ylidene)-, (2Z)-
CAS Number:
192724-45-1
Molecular Formula:
C20H26O2
Molecular Weight:
298.4192
IUPAC Name:
2-trideca-9,11-diynylidene-1,6-dioxaspiro[4.4]non-3-ene
InChI:
InChI=1S/C20H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-14-19-15-17-20(22-19)16-13-18-21-20/h14-15,17H,6-13,16,18H2,1H3
InChI Key:
XXZJRNFHRBVYPF-UHFFFAOYSA-N
SMILES:
CC#CC#CCCCCCCC/C=C\1/C=CC2(O1)CCCO2
Properties
Complexity:
543
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.193g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.426g/mol
Monoisotopic Mass:
298.193g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
5.8
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