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651314-86-2 | 1-Azabicyclo[2.2.1]heptane, 7-[3-(5-isoxazolyl)-2-propynyl]-
CAS No: 651314-86-2 Catalog No: AG006QX2 MDL No:
Product Description
Catalog Number:
AG006QX2
Chemical Name:
1-Azabicyclo[2.2.1]heptane, 7-[3-(5-isoxazolyl)-2-propynyl]-
CAS Number:
651314-86-2
Molecular Formula:
C12H14N2O
Molecular Weight:
202.2524
IUPAC Name:
5-[3-(1-azabicyclo[2.2.1]heptan-7-yl)prop-1-ynyl]-1,2-oxazole
InChI:
InChI=1S/C12H14N2O/c1(2-11-4-7-13-15-11)3-12-10-5-8-14(12)9-6-10/h4,7,10,12H,3,5-6,8-9H2
InChI Key:
IPVOEERSIOUCCI-UHFFFAOYSA-N
SMILES:
c1noc(c1)C#CCC1C2CCN1CC2
Properties
Complexity:
295
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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