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1422067-94-4 | isoxazolidin-2-yl((3aR,7R,7aR)-octahydropyrano[3,4-c]pyrrol-7-yl)methanone
CAS No: 1422067-94-4 Catalog No: AG01DKC3 MDL No:
Product Description
Catalog Number:
AG01DKC3
Chemical Name:
isoxazolidin-2-yl((3aR,7R,7aR)-octahydropyrano[3,4-c]pyrrol-7-yl)methanone
CAS Number:
1422067-94-4
Molecular Formula:
C11H18N2O3
Molecular Weight:
226.2722
IUPAC Name:
[(3aR,7R,7aR)-1,2,3,3a,4,6,7,7a-octahydropyrano[3,4-c]pyrrol-7-yl]-(1,2-oxazolidin-2-yl)methanone
InChI:
InChI=1S/C11H18N2O3/c14-11(13-2-1-3-16-13)10-7-15-6-8-4-12-5-9(8)10/h8-10,12H,1-7H2/t8-,9-,10+/m1/s1
InChI Key:
WNCYAEJOAQMQIR-BBBLOLIVSA-N
SMILES:
O=C([C@H]1COC[C@@H]2[C@H]1CNC2)N1CCCO1
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
226.132g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.276g/mol
Monoisotopic Mass:
226.132g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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