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Home > Other Heterocycles > 233595-51-2
233595-51-2 | 7-Oxabicyclo[4.1.0]heptane, 1-(1-hexyn-1-yl)-
CAS No: 233595-51-2 Catalog No: AG002MYT MDL No:
Product Description
Catalog Number:
AG002MYT
Chemical Name:
7-Oxabicyclo[4.1.0]heptane, 1-(1-hexyn-1-yl)-
CAS Number:
233595-51-2
Molecular Formula:
C12H18O
Molecular Weight:
178.2707
IUPAC Name:
1-hex-1-ynyl-7-oxabicyclo[4.1.0]heptane
InChI:
InChI=1S/C12H18O/c1-2-3-4-6-9-12-10-7-5-8-11(12)13-12/h11H,2-5,7-8,10H2,1H3
InChI Key:
PGFKQWUAGZKRAO-UHFFFAOYSA-N
SMILES:
CCCCC#CC12CCCCC2O1
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.136g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.275g/mol
Monoisotopic Mass:
178.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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