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651313-99-4 | Indolizine, octahydro-8a-(5-isoxazolylethynyl)-
CAS No: 651313-99-4 Catalog No: AG006R2X MDL No:
Product Description
Catalog Number:
AG006R2X
Chemical Name:
Indolizine, octahydro-8a-(5-isoxazolylethynyl)-
CAS Number:
651313-99-4
Molecular Formula:
C13H16N2O
Molecular Weight:
216.2789
IUPAC Name:
5-[2-(2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl)ethynyl]-1,2-oxazole
InChI:
InChI=1S/C13H16N2O/c1-2-10-15-11-3-7-13(15,6-1)8-4-12-5-9-14-16-12/h5,9H,1-3,6-7,10-11H2
InChI Key:
IMLAYSLUDQAXRX-UHFFFAOYSA-N
SMILES:
c1noc(c1)C#CC12CCCCN2CCC1
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.284g/mol
Monoisotopic Mass:
216.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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