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(1R,3R)-3-{[(benzyloxy)carbonyl]amino}cyclohexyl acetate

(1R,3R)-3-{[(benzyloxy)carbonyl]amino}cyclohexyl acetate

CAS: 750649-42-4

Formula: C16H21NO4

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

IUPAC: (1R,3R)-3-{[(benzyloxy)carbonyl]amino}cyclohexyl acetate

InChI: InChI=1S/C16H21NO4/c1-12(18)21-15-9-5-8-14(10-15)17-16(19)20-11-13-6-3-2-4-7-13/h2-4,6-7,14-15H,5,8-11H2,1H3,(H,17,19)/t14-,15-/m1/s1

Composition: C (65.96%), H (7.27%), N (4.81%), O (21.97%)

Molar Mass: 291.347

Atom Count: 42

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 291.14705816
Formal Charge 0
FSP3 0.5
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey HONUIJYJMHZWAO-HUUCEWRRSA-N
Lipinski's Rule of Five 1
Molar Refractivity 77.39
Topological Polar Surface Area 64.63
Polarizability 30.69
Ring Count 2
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
95% 1 Day 750649-42-4 $323.19-$3,572.10$323.19$595.35$1,190.70$3,572.10
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