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651737-78-9 | 1-Azabicyclo[3.2.2]nonane, 7-[(1Z)-2-(5-isoxazolyl)ethenyl]-
CAS No: 651737-78-9 Catalog No: AG00H82I MDL No:
Product Description
Catalog Number:
AG00H82I
Chemical Name:
1-Azabicyclo[3.2.2]nonane, 7-[(1Z)-2-(5-isoxazolyl)ethenyl]-
CAS Number:
651737-78-9
Molecular Formula:
C13H18N2O
Molecular Weight:
218.2948
IUPAC Name:
5-[2-(1-azabicyclo[3.2.2]nonan-7-yl)ethenyl]-1,2-oxazole
InChI:
InChI=1S/C13H18N2O/c1-2-11-6-9-15(8-1)12(10-11)3-4-13-5-7-14-16-13/h3-5,7,11-12H,1-2,6,8-10H2
InChI Key:
YTMLXKTUKJWLPR-UHFFFAOYSA-N
SMILES:
C1CC2CCN(C1)C(C2)/C=C\c1ccno1
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.142g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.3g/mol
Monoisotopic Mass:
218.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
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