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84665-98-5 | 3H-Pyrrolizin-3-one, 6-[1-(formyloxy)-1-methylethyl]hexahydro-, trans-
CAS No: 84665-98-5 Catalog No: AG004SZC MDL No:
Product Description
Catalog Number:
AG004SZC
Chemical Name:
3H-Pyrrolizin-3-one, 6-[1-(formyloxy)-1-methylethyl]hexahydro-, trans-
CAS Number:
84665-98-5
Molecular Formula:
C11H17NO3
Molecular Weight:
211.2576
IUPAC Name:
2-[(2S,8R)-5-oxo-1,2,3,6,7,8-hexahydropyrrolizin-2-yl]propan-2-yl formate
InChI:
InChI=1S/C11H17NO3/c1-11(2,15-7-13)8-5-9-3-4-10(14)12(9)6-8/h7-9H,3-6H2,1-2H3/t8-,9+/m0/s1
InChI Key:
WBZATFVSOZNRHV-DTWKUNHWSA-N
SMILES:
O=COC([C@H]1C[C@@H]2N(C1)C(=O)CC2)(C)C
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
211.121g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.261g/mol
Monoisotopic Mass:
211.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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