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methyl (2S)-1-[(1S)-1-phenylethyl]azetidine-2-carboxylate

methyl (2S)-1-[(1S)-1-phenylethyl]azetidine-2-carboxylate

CAS: 204274-29-3

Formula: C13H17NO2

SMILES: COC(=O)[C@@H]1CCN1[C@@H](C)C1=CC=CC=C1

IUPAC: methyl (2S)-1-[(1S)-1-phenylethyl]azetidine-2-carboxylate

InChI: InChI=1S/C13H17NO2/c1-10(11-6-4-3-5-7-11)14-9-8-12(14)13(15)16-2/h3-7,10,12H,8-9H2,1-2H3/t10-,12-/m0/s1

Composition: C (71.21%), H (7.81%), N (6.39%), O (14.59%)

Molar Mass: 219.284

Atom Count: 33

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 219.125928791
Formal Charge 0
FSP3 0.46
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey FMYIXIBSKQXTLX-JQWIXIFHSA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.51
Topological Polar Surface Area 29.54
Polarizability 24.78
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 204274-29-3 $95.22-$188.37$95.22$188.37
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Purity LeadTime CAS PacketSize UnitPrice
97% <6 Days 204274-29-3 $133.40-$232.30$133.40$232.30
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