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651314-08-8 | 1-Azabicyclo[3.2.0]heptane, 5-(5-isoxazolylethynyl)-
CAS No: 651314-08-8 Catalog No: AG006QXC MDL No:
Product Description
Catalog Number:
AG006QXC
Chemical Name:
1-Azabicyclo[3.2.0]heptane, 5-(5-isoxazolylethynyl)-
CAS Number:
651314-08-8
Molecular Formula:
C11H12N2O
Molecular Weight:
188.2258
IUPAC Name:
5-[2-(1-azabicyclo[3.2.0]heptan-5-yl)ethynyl]-1,2-oxazole
InChI:
InChI=1S/C11H12N2O/c1-4-11(6-9-13(11)8-1)5-2-10-3-7-12-14-10/h3,7H,1,4,6,8-9H2
InChI Key:
QQDRHMYZWSIUFU-UHFFFAOYSA-N
SMILES:
c1noc(c1)C#CC12CCCN2CC1
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.23g/mol
Monoisotopic Mass:
188.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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