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89003-68-9 | 3H-Pyrrolizin-3-one, hexahydro-7a-hydroxy-7-(4-morpholinylmethyl)-
CAS No: 89003-68-9 Catalog No: AG0045KZ MDL No:
Product Description
Catalog Number:
AG0045KZ
Chemical Name:
3H-Pyrrolizin-3-one, hexahydro-7a-hydroxy-7-(4-morpholinylmethyl)-
CAS Number:
89003-68-9
Molecular Formula:
C12H20N2O3
Molecular Weight:
240.2988
IUPAC Name:
8-hydroxy-7-(morpholin-4-ylmethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
InChI:
InChI=1S/C12H20N2O3/c15-11-1-3-12(16)10(2-4-14(11)12)9-13-5-7-17-8-6-13/h10,16H,1-9H2
InChI Key:
XSFMQWCHDZKNED-UHFFFAOYSA-N
SMILES:
O=C1CCC2(N1CCC2CN1CCOCC1)O
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.147g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.303g/mol
Monoisotopic Mass:
240.147g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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