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651314-90-8 | 1-Azabicyclo[3.2.2]nonane, 7-[3-(5-isoxazolyl)-2-propynyl]-
CAS No: 651314-90-8 Catalog No: AG006QX1 MDL No:
Product Description
Catalog Number:
AG006QX1
Chemical Name:
1-Azabicyclo[3.2.2]nonane, 7-[3-(5-isoxazolyl)-2-propynyl]-
CAS Number:
651314-90-8
Molecular Formula:
C14H18N2O
Molecular Weight:
230.3055
IUPAC Name:
5-[3-(1-azabicyclo[3.2.2]nonan-7-yl)prop-1-ynyl]-1,2-oxazole
InChI:
InChI=1S/C14H18N2O/c1(5-14-6-8-15-17-14)4-13-11-12-3-2-9-16(13)10-7-12/h6,8,12-13H,2-4,7,9-11H2
InChI Key:
INLWFFXONOKTOI-UHFFFAOYSA-N
SMILES:
C1CC2CCN(C1)C(C2)CC#Cc1ccno1
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.142g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.311g/mol
Monoisotopic Mass:
230.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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