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114460-89-8 | Cyclohexane, 1-(3-buten-1-yn-1-yl)-1-(2-propyn-1-yloxy)-
CAS No: 114460-89-8 Catalog No: AG000EFZ MDL No:
Product Description
Catalog Number:
AG000EFZ
Chemical Name:
Cyclohexane, 1-(3-buten-1-yn-1-yl)-1-(2-propyn-1-yloxy)-
CAS Number:
114460-89-8
Molecular Formula:
C13H16O
Molecular Weight:
188.2655
IUPAC Name:
1-but-3-en-1-ynyl-1-prop-2-ynoxycyclohexane
InChI:
InChI=1S/C13H16O/c1-3-5-9-13(14-12-4-2)10-7-6-8-11-13/h2-3H,1,6-8,10-12H2
InChI Key:
WXKDGUOWEMAEKU-UHFFFAOYSA-N
SMILES:
C=CC#CC1(OCC#C)CCCCC1
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.12g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.27g/mol
Monoisotopic Mass:
188.12g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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