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(1S,2S)-2-[(tert-butoxycarbonyl)amino]cyclohex-3-ene-1-carboxylic acid

(1S,2S)-2-[(tert-butoxycarbonyl)amino]cyclohex-3-ene-1-carboxylic acid

CAS: 870288-16-7

Formula: C12H19NO4

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

IUPAC: (1S,2S)-2-{[(tert-butoxy)carbonyl]amino}cyclohex-3-ene-1-carboxylic acid

InChI: InChI=1S/C12H19NO4/c1-12(2,3)17-11(16)13-9-7-5-4-6-8(9)10(14)15/h5,7-9H,4,6H2,1-3H3,(H,13,16)(H,14,15)/t8-,9-/m0/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 QWRRLPZJKAWOFL-IUCAKERBSA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.85
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
95% <2 Days 870288-16-7 $572.18$572.18
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