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(1R,5R)-5-[(tert-butoxycarbonyl)amino]cyclohex-3-ene-1-carboxylic acid

(1R,5R)-5-[(tert-butoxycarbonyl)amino]cyclohex-3-ene-1-carboxylic acid

CAS: 933445-56-8

Formula: C12H19NO4

SMILES: CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CC=C1)C(O)=O

IUPAC: (1R,5R)-5-{[(tert-butoxy)carbonyl]amino}cyclohex-3-ene-1-carboxylic acid

InChI: InChI=1S/C12H19NO4/c1-12(2,3)17-11(16)13-9-6-4-5-8(7-9)10(14)15/h4,6,8-9H,5,7H2,1-3H3,(H,13,16)(H,14,15)/t8-,9+/m1/s1

Composition: C (59.73%), H (7.94%), N (5.81%), O (26.52%)

Molar Mass: 241.287

Atom Count: 36

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 241.131408096
Formal Charge 0
FSP3 0.67
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey WRDLRBISLUXLKZ-BDAKNGLRSA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.01
Topological Polar Surface Area 75.63
Polarizability 24.33
Ring Count 1
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 933445-56-8 $11,362.00-$3,289.00$2,162.00$3,289.00$11,362.00
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