Free Chemical Databases
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[Synonyms]
NSC123795
[Structure]
[ Properties Computed from Structure]
Molecular Weight 185.2203 [g/mol] Molecular Formula C9H15NO3 XLogP -0.5 H-Bond Donor 1 H-Bond Acceptor 4 Rotatable Bond Count 2 Exact Mass 185.105193 MonoIsotopic Mass 185.105193 Topological Polar Surface Area 49.8 Heavy Atom Count 13 Formal Charge 0 Complexity 219 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 3 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: methyl 7-hydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate
Canonical SMILES: COC(=O)C1CCN2C1C(CC2)O
InChI: InChI=1/C9H15NO3/c1-13-9(12)6-2-4-10-5-3-7(11)8(6)10/h6-8,11H,2-5H2,1H3
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