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benzyl N-[(2S)-1-oxopropan-2-yl]carbamate

benzyl N-[(2S)-1-oxopropan-2-yl]carbamate

CAS: 111955-03-4

Formula: C11H13NO3

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

IUPAC: benzyl N-[(2S)-1-oxopropan-2-yl]carbamate

InChI: InChI=1S/C11H13NO3/c1-9(7-13)12-11(14)15-8-10-5-3-2-4-6-10/h2-7,9H,8H2,1H3,(H,12,14)/t9-/m0/s1

Composition: C (63.76%), H (6.32%), N (6.76%), O (23.16%)

Molar Mass: 207.229

Atom Count: 28

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 207.089543283
Formal Charge 0
FSP3 0.27
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey XTXJPZGMVKIPHE-VIFPVBQESA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.25
Topological Polar Surface Area 55.4
Polarizability 21.52
Ring Count 1
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 111955-03-4 $216.20-$3,447.70$216.20$316.25$516.35$917.70$3,447.70$10,338.50
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