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Home > Other Heterocycles > 89682-63-3
89682-63-3 | 3,6-Dodecadiyn-1-one, 1-(2-oxabicyclo[3.1.0]hex-3-en-6-yl)-
CAS No: 89682-63-3 Catalog No: AG0042Y1 MDL No:
Product Description
Catalog Number:
AG0042Y1
Chemical Name:
3,6-Dodecadiyn-1-one, 1-(2-oxabicyclo[3.1.0]hex-3-en-6-yl)-
CAS Number:
89682-63-3
Molecular Formula:
C17H20O2
Molecular Weight:
256.3395
IUPAC Name:
1-(2-oxabicyclo[3.1.0]hex-3-en-6-yl)dodeca-3,6-diyn-1-one
InChI:
InChI=1S/C17H20O2/c1-2-3-4-5-6-7-8-9-10-11-15(18)16-14-12-13-19-17(14)16/h12-14,16-17H,2-5,8,11H2,1H3
InChI Key:
MHMKNDVDONKGFV-UHFFFAOYSA-N
SMILES:
CCCCCC#CCC#CCC(=O)C1C2C1OC=C2
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.146g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.345g/mol
Monoisotopic Mass:
256.146g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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