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651737-73-4 | 1-Azabicyclo[2.2.1]heptane, 3-[(1E)-2-(5-isoxazolyl)ethenyl]-
CAS No: 651737-73-4 Catalog No: AG00H82J MDL No:
Product Description
Catalog Number:
AG00H82J
Chemical Name:
1-Azabicyclo[2.2.1]heptane, 3-[(1E)-2-(5-isoxazolyl)ethenyl]-
CAS Number:
651737-73-4
Molecular Formula:
C11H14N2O
Molecular Weight:
190.2417
IUPAC Name:
5-[2-(1-azabicyclo[2.2.1]heptan-3-yl)ethenyl]-1,2-oxazole
InChI:
InChI=1S/C11H14N2O/c1(2-11-3-5-12-14-11)9-7-13-6-4-10(9)8-13/h1-3,5,9-10H,4,6-8H2
InChI Key:
UKZFTLYDJWYNMZ-UHFFFAOYSA-N
SMILES:
c1noc(c1)/C=C/C1CN2CC1CC2
Properties
Complexity:
241
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:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
1.3
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