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benzyl 2-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate

benzyl 2-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate

CAS: 13590-42-6

Formula: C12H11NO5

SMILES: O=C(C[C@@H]1NC(=O)OC1=O)OCC1=CC=CC=C1

IUPAC: benzyl 2-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate

InChI: InChI=1S/C12H11NO5/c14-10(6-9-11(15)18-12(16)13-9)17-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,16)/t9-/m0/s1

Composition: C (57.83%), H (4.45%), N (5.62%), O (32.10%)

Molar Mass: 249.222

Atom Count: 29

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 249.063722458
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey QNIPTEJAZIWFHH-VIFPVBQESA-N
Lipinski's Rule of Five 1
Molar Refractivity 59.01
Topological Polar Surface Area 81.7
Polarizability 23.49
Ring Count 2
Rotatable Bond Count 5

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97% <6 Days 13590-42-6 $18.40-$140.30$18.40$51.75$87.40$140.30
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95% <7 Days 13590-42-6 $9.32-$50.72$9.32$31.05$50.72
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