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651314-83-9 | 1-Azabicyclo[2.2.1]heptane, 2-[3-(5-isoxazolyl)-2-propynyl]-
CAS No: 651314-83-9 Catalog No: AG006QX3 MDL No:
Product Description
Catalog Number:
AG006QX3
Chemical Name:
1-Azabicyclo[2.2.1]heptane, 2-[3-(5-isoxazolyl)-2-propynyl]-
CAS Number:
651314-83-9
Molecular Formula:
C12H14N2O
Molecular Weight:
202.2524
IUPAC Name:
5-[3-(1-azabicyclo[2.2.1]heptan-2-yl)prop-1-ynyl]-1,2-oxazole
InChI:
InChI=1S/C12H14N2O/c1(3-12-4-6-13-15-12)2-11-8-10-5-7-14(11)9-10/h4,6,10-11H,2,5,7-9H2
InChI Key:
OGMYXHKNMZNBEC-UHFFFAOYSA-N
SMILES:
c1noc(c1)C#CCC1CC2CN1CC2
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.111g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.257g/mol
Monoisotopic Mass:
202.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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