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(1r,4r)-4-{[(benzyloxy)carbonyl]amino}cyclohexane-1-carboxylic acid

(1r,4r)-4-{[(benzyloxy)carbonyl]amino}cyclohexane-1-carboxylic acid

CAS: 34771-04-5

Formula: C15H19NO4

SMILES: OC(=O)[C@H]1CC[C@@H](CC1)NC(=O)OCC1=CC=CC=C1

IUPAC: (1r,4r)-4-{[(benzyloxy)carbonyl]amino}cyclohexane-1-carboxylic acid

InChI: InChI=1/C15H19NO4/c17-14(18)12-6-8-13(9-7-12)16-15(19)20-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,16,19)(H,17,18)/t12-,13-

Composition: C (64.97%), H (6.91%), N (5.05%), O (23.08%)

Molar Mass: 277.32

Atom Count: 39

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 277.131408096
Formal Charge 0
FSP3 0.47
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey ZVMICQYOGWAOSU-JOCQHMNTNA-N
Lipinski's Rule of Five 1
Molar Refractivity 72.85
Topological Polar Surface Area 75.63
Polarizability 28.61
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
95% <6 Days 34771-04-5 $14.95-$230.00$14.95$31.05$78.20$230.00
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Purity LeadTime CAS PacketSize UnitPrice
98% <7 Days 34771-04-5 $20.70-$525.78$20.70$51.75$171.81$525.78
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