1-benzyl 2-methyl (1S,2R)-4-oxocyclopentane-1,2-dicarboxylate

1-benzyl 2-methyl (1S,2R)-4-oxocyclopentane-1,2-dicarboxylate

CAS: 164916-54-5

Formula: C15H16O5

SMILES: COC(=O)[C@@H]1CC(=O)C[C@@H]1C(=O)OCC1=CC=CC=C1

IUPAC: 1-benzyl 2-methyl (1S,2R)-4-oxocyclopentane-1,2-dicarboxylate

InChI: InChI=1S/C15H16O5/c1-19-14(17)12-7-11(16)8-13(12)15(18)20-9-10-5-3-2-4-6-10/h2-6,12-13H,7-9H2,1H3/t12-,13+/m1/s1

Composition: C (65.21%), H (5.84%), O (28.95%)

Molar Mass: 276.288

Atom Count: 36

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	276.099773615
Formal Charge	0
FSP3	0.4
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	IPBOISVEVUERBN-OLZOCXBDSA-N
Lipinski's Rule of Five	1
Molar Refractivity	70.28
Topological Polar Surface Area	69.67
Polarizability	27.82
Ring Count	2
Rotatable Bond Count	6

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