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(1R,2S)-2-{[(benzyloxy)carbonyl]amino}cyclohexane-1-carboxylic acid

(1R,2S)-2-{[(benzyloxy)carbonyl]amino}cyclohexane-1-carboxylic acid

CAS: 202867-96-7

Formula: C15H19NO4

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

IUPAC: (1R,2S)-2-{[(benzyloxy)carbonyl]amino}cyclohexane-1-carboxylic acid

InChI: InChI=1S/C15H19NO4/c17-14(18)12-8-4-5-9-13(12)16-15(19)20-10-11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10H2,(H,16,19)(H,17,18)/t12-,13+/m1/s1

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 2
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 RPJMLWMATNCSIS-OLZOCXBDSA-N
Lipinski's Rule of Five 1
Molar Refractivity 72.7
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
98% <2 Days 202867-96-7 $457.70-$4,597.70$457.70$687.70$1,147.70$4,597.70
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