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Home > Other Heterocycles > 192385-58-3
192385-58-3 | 2-Propenoic acid, 2-methyl-, 1-azabicyclo[2.2.2]oct-3-yl ester
CAS No: 192385-58-3 Catalog No: AG002FWR MDL No:
Product Description
Catalog Number:
AG002FWR
Chemical Name:
2-Propenoic acid, 2-methyl-, 1-azabicyclo[2.2.2]oct-3-yl ester
CAS Number:
192385-58-3
Molecular Formula:
C11H17NO2
Molecular Weight:
195.2582
IUPAC Name:
1-azabicyclo[2.2.2]octan-3-yl 2-methylprop-2-enoate
InChI:
InChI=1S/C11H17NO2/c1-8(2)11(13)14-10-7-12-5-3-9(10)4-6-12/h9-10H,1,3-7H2,2H3
InChI Key:
FYHHADMSTRAIFR-UHFFFAOYSA-N
SMILES:
O=C(C(=C)C)OC1CN2CCC1CC2
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.126g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.262g/mol
Monoisotopic Mass:
195.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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