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651314-50-0 | 1-Azabicyclo[2.2.1]heptane, 7-[(1Z)-2-(5-isoxazolyl)ethenyl]-
CAS No: 651314-50-0 Catalog No: AG006QX8 MDL No:
Product Description
Catalog Number:
AG006QX8
Chemical Name:
1-Azabicyclo[2.2.1]heptane, 7-[(1Z)-2-(5-isoxazolyl)ethenyl]-
CAS Number:
651314-50-0
Molecular Formula:
C11H14N2O
Molecular Weight:
190.2417
IUPAC Name:
5-[2-(1-azabicyclo[2.2.1]heptan-7-yl)ethenyl]-1,2-oxazole
InChI:
InChI=1S/C11H14N2O/c1(10-3-6-12-14-10)2-11-9-4-7-13(11)8-5-9/h1-3,6,9,11H,4-5,7-8H2
InChI Key:
MYIKODIHFGQCKZ-UHFFFAOYSA-N
SMILES:
c1noc(c1)/C=C\C1C2CCN1CC2
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.111g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.246g/mol
Monoisotopic Mass:
190.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
1.4
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